REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3prl_1_B DATA FIRST_RESID 9 DATA SEQUENCE QFNANILRNG EWVESRTGER ISISAPASGV ALGSIPALSQ EEVNDAIQGA DATA SEQUENCE KDAQKIWKIR PIHERVDLLY AWADLLEERK EIIGELIMHE VAKPKKSAIG DATA SEQUENCE EVSRTADIIR HTADEALRLN GETLKGDQFK GGSSKKIALV EREPLGVVLA DATA SEQUENCE ISPFNYPVNL AAAKIAPALV TGNTVVFKPA TQGSLSGIKM VEALADAGAP DATA SEQUENCE EGIIQVVTGR GSVIGDHLVE HPGIDMITFT GGTTTGERIS EKAKMIPVVL DATA SEQUENCE ELGGKDPAIV LDDADLKLTA SQIVSGAFSY SGQRCTAIKR VFVQDSVADQ DATA SEQUENCE LVANIKELVE QLTVGSPEDD ADITPVIDEK SAAFIQGLID DALENGATLL DATA SEQUENCE SGNKRQGNLL SPTLLDDVTP AMRVAWEEPF GPVLPIIRVK DANEAISLSN DATA SEQUENCE QSDYGLQASI FTKDTDRAIN IGKHLEVGTV HINAKTERGP DHFPFLGVKK DATA SEQUENCE SGLGVQGIKP SLLSMTRERV TVLNLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 Q HA 0.000 nan 4.340 nan 0.000 0.214 9 Q C 0.000 176.098 176.000 0.164 0.000 1.003 9 Q CA 0.000 55.846 55.803 0.072 0.000 1.022 9 Q CB 0.000 28.766 28.738 0.046 0.000 1.108 10 F N 2.335 122.274 119.950 -0.018 0.000 2.300 10 F HA 0.447 4.977 4.527 0.005 0.000 0.364 10 F C -0.715 175.081 175.800 -0.006 0.000 1.090 10 F CA -1.031 56.961 58.000 -0.014 0.000 1.200 10 F CB 0.747 39.743 39.000 -0.007 0.000 1.493 10 F HN 0.463 nan 8.300 nan 0.000 0.518 11 N N 5.305 124.025 118.700 0.034 0.000 2.807 11 N HA 0.183 4.926 4.740 0.005 0.000 0.259 11 N C 0.056 175.440 175.510 -0.210 0.000 1.149 11 N CA 0.003 52.986 53.050 -0.112 0.000 1.042 11 N CB 1.060 39.533 38.487 -0.024 0.000 1.367 11 N HN 0.535 nan 8.380 nan 0.000 0.516 12 A N 2.098 124.586 122.820 -0.555 0.000 2.386 12 A HA 0.299 4.622 4.320 0.005 0.000 0.248 12 A C 0.587 178.075 177.584 -0.159 0.000 1.082 12 A CA -0.278 51.403 52.037 -0.593 0.000 0.789 12 A CB 0.575 18.940 19.000 -1.059 0.000 1.025 12 A HN 0.452 nan 8.150 nan 0.000 0.490 13 N N -0.809 117.905 118.700 0.023 0.000 2.459 13 N HA 0.629 5.372 4.740 0.005 0.000 0.288 13 N C -0.624 175.076 175.510 0.317 0.000 1.186 13 N CA -0.297 52.855 53.050 0.171 0.000 0.917 13 N CB 1.538 40.191 38.487 0.277 0.000 1.219 13 N HN 0.645 nan 8.380 nan 0.000 0.525 14 I N -1.879 118.834 120.570 0.239 0.000 2.863 14 I HA 0.534 4.707 4.170 0.005 0.000 0.311 14 I C -0.627 175.450 176.117 -0.065 0.000 1.026 14 I CA -1.003 60.389 61.300 0.154 0.000 1.077 14 I CB 0.836 38.849 38.000 0.021 0.000 1.262 14 I HN 0.180 nan 8.210 nan 0.000 0.461 15 L N 3.610 124.610 121.223 -0.373 0.000 2.264 15 L HA 0.605 4.948 4.340 0.005 0.000 0.289 15 L C -0.363 176.271 176.870 -0.393 0.000 1.044 15 L CA 0.022 54.417 54.840 -0.741 0.000 0.807 15 L CB 0.415 41.852 42.059 -1.037 0.000 1.192 15 L HN 0.822 nan 8.230 nan 0.000 0.425 16 R N 4.269 124.568 120.500 -0.335 0.000 2.514 16 R HA 0.347 4.690 4.340 0.005 0.000 0.296 16 R C -0.536 175.642 176.300 -0.204 0.000 1.012 16 R CA -0.480 55.489 56.100 -0.220 0.000 0.897 16 R CB 0.786 31.002 30.300 -0.140 0.000 1.184 16 R HN 0.753 nan 8.270 nan 0.000 0.440 17 N N 2.890 121.479 118.700 -0.185 0.000 2.727 17 N HA -0.202 4.541 4.740 0.005 0.000 0.249 17 N C 0.574 175.984 175.510 -0.166 0.000 1.048 17 N CA 1.694 54.654 53.050 -0.150 0.000 0.714 17 N CB -1.155 37.271 38.487 -0.102 0.000 0.959 17 N HN 1.108 nan 8.380 nan 0.000 0.544 18 G N -1.299 107.359 108.800 -0.237 0.000 2.184 18 G HA2 -0.342 3.621 3.960 0.005 0.000 0.264 18 G HA3 -0.342 3.621 3.960 0.005 0.000 0.264 18 G C -0.138 174.612 174.900 -0.251 0.000 0.975 18 G CA 0.872 45.830 45.100 -0.237 0.000 0.642 18 G HN 0.585 nan 8.290 nan 0.000 0.536 19 E N -1.130 118.908 120.200 -0.270 0.000 2.195 19 E HA 0.526 4.879 4.350 0.005 0.000 0.271 19 E C -0.709 175.717 176.600 -0.291 0.000 0.923 19 E CA -1.036 55.258 56.400 -0.178 0.000 0.790 19 E CB 0.957 30.618 29.700 -0.065 0.000 1.155 19 E HN 0.305 nan 8.360 nan 0.000 0.402 20 W N 3.175 124.474 121.300 -0.002 0.000 2.331 20 W HA 0.393 5.056 4.660 0.005 0.000 0.306 20 W C -0.291 176.229 176.519 0.002 0.000 1.162 20 W CA -0.392 56.956 57.345 0.006 0.000 1.232 20 W CB 0.806 30.280 29.460 0.022 0.000 1.235 20 W HN 0.234 nan 8.180 nan 0.000 0.479 21 V N 0.151 120.169 119.914 0.174 0.000 3.167 21 V HA 0.683 4.806 4.120 0.005 0.000 0.310 21 V C -0.383 175.758 176.094 0.079 0.000 1.207 21 V CA -1.443 60.914 62.300 0.095 0.000 1.059 21 V CB 1.702 33.542 31.823 0.029 0.000 1.079 21 V HN 0.614 nan 8.190 nan 0.000 0.446 22 E N 0.371 120.598 120.200 0.045 0.000 2.303 22 E HA 0.625 4.978 4.350 0.005 0.000 0.254 22 E C -0.425 176.178 176.600 0.005 0.000 0.979 22 E CA -0.680 55.733 56.400 0.022 0.000 0.843 22 E CB 1.829 31.538 29.700 0.016 0.000 1.245 22 E HN 0.755 nan 8.360 nan 0.000 0.413 23 S N -0.836 114.860 115.700 -0.006 0.000 2.545 23 S HA 0.131 4.604 4.470 0.005 0.000 0.275 23 S C 0.878 175.471 174.600 -0.011 0.000 1.299 23 S CA -0.453 57.739 58.200 -0.013 0.000 1.048 23 S CB 0.535 63.723 63.200 -0.019 0.000 0.938 23 S HN 0.557 nan 8.310 nan 0.000 0.496 24 R N 1.365 121.857 120.500 -0.013 0.000 2.200 24 R HA -0.083 4.261 4.340 0.005 0.000 0.234 24 R C 2.191 178.482 176.300 -0.014 0.000 1.127 24 R CA 1.705 57.798 56.100 -0.012 0.000 0.989 24 R CB -0.719 29.573 30.300 -0.014 0.000 0.869 24 R HN 0.885 nan 8.270 nan 0.000 0.459 25 T N -2.868 111.675 114.554 -0.017 0.000 2.962 25 T HA -0.006 4.347 4.350 0.005 0.000 0.270 25 T C 1.622 176.313 174.700 -0.015 0.000 1.088 25 T CA 0.942 63.031 62.100 -0.018 0.000 1.127 25 T CB -0.047 68.808 68.868 -0.022 0.000 0.883 25 T HN 0.425 nan 8.240 nan 0.000 0.493 26 G N 0.860 109.652 108.800 -0.013 0.000 2.168 26 G HA2 -0.248 3.715 3.960 0.005 0.000 0.263 26 G HA3 -0.248 3.715 3.960 0.005 0.000 0.263 26 G C -0.213 174.679 174.900 -0.013 0.000 0.977 26 G CA 0.328 45.422 45.100 -0.011 0.000 0.659 26 G HN 0.683 nan 8.290 nan 0.000 0.533 27 E N -0.239 119.951 120.200 -0.016 0.000 2.214 27 E HA 0.708 5.061 4.350 0.005 0.000 0.274 27 E C 0.535 177.122 176.600 -0.022 0.000 0.977 27 E CA -0.687 55.702 56.400 -0.018 0.000 0.827 27 E CB 1.071 30.759 29.700 -0.020 0.000 1.130 27 E HN 0.359 nan 8.360 nan 0.000 0.394 28 R N 1.627 122.113 120.500 -0.024 0.000 2.837 28 R HA 0.574 4.917 4.340 0.005 0.000 0.271 28 R C -0.725 175.557 176.300 -0.030 0.000 0.993 28 R CA -0.855 55.227 56.100 -0.030 0.000 0.931 28 R CB 1.605 31.885 30.300 -0.034 0.000 1.206 28 R HN 0.422 nan 8.270 nan 0.000 0.474 29 I N 1.117 121.665 120.570 -0.036 0.000 2.362 29 I HA 0.225 4.398 4.170 0.005 0.000 0.289 29 I C -0.280 175.816 176.117 -0.035 0.000 0.994 29 I CA -0.428 60.853 61.300 -0.032 0.000 1.158 29 I CB 2.122 40.103 38.000 -0.032 0.000 1.315 29 I HN 0.456 nan 8.210 nan 0.000 0.451 30 S N 6.762 122.446 115.700 -0.027 0.000 2.545 30 S HA 0.540 5.013 4.470 0.005 0.000 0.275 30 S C -0.214 174.374 174.600 -0.020 0.000 1.299 30 S CA -0.352 57.833 58.200 -0.025 0.000 1.048 30 S CB 0.823 64.013 63.200 -0.018 0.000 0.938 30 S HN 0.326 nan 8.310 nan 0.000 0.496 31 I N 2.327 122.887 120.570 -0.018 0.000 2.433 31 I HA 0.336 4.509 4.170 0.005 0.000 0.292 31 I C 0.028 176.150 176.117 0.008 0.000 1.001 31 I CA -0.023 61.274 61.300 -0.004 0.000 1.119 31 I CB 1.907 39.907 38.000 -0.001 0.000 1.289 31 I HN 0.490 nan 8.210 nan 0.000 0.438 32 S N 3.719 119.426 115.700 0.011 0.000 2.607 32 S HA 0.733 5.206 4.470 0.005 0.000 0.303 32 S C -0.269 174.351 174.600 0.033 0.000 1.086 32 S CA -0.743 57.466 58.200 0.015 0.000 0.995 32 S CB 1.894 65.098 63.200 0.006 0.000 1.084 32 S HN 0.667 nan 8.310 nan 0.000 0.507 33 A N 2.696 125.539 122.820 0.039 0.000 2.347 33 A HA 0.482 4.805 4.320 0.005 0.000 0.287 33 A C -1.915 175.703 177.584 0.057 0.000 1.199 33 A CA -1.344 50.736 52.037 0.071 0.000 0.851 33 A CB -0.216 18.837 19.000 0.088 0.000 1.118 33 A HN 0.509 nan 8.150 nan 0.000 0.525 34 P HA -0.142 nan 4.420 nan 0.000 0.220 34 P C 1.484 178.807 177.300 0.038 0.000 1.148 34 P CA 1.791 64.911 63.100 0.033 0.000 0.803 34 P CB 0.299 32.015 31.700 0.027 0.000 0.782 35 A N -0.351 122.505 122.820 0.060 0.000 2.016 35 A HA -0.072 4.251 4.320 0.005 0.000 0.217 35 A C 2.113 179.724 177.584 0.045 0.000 1.162 35 A CA 1.934 54.004 52.037 0.054 0.000 0.662 35 A CB -0.897 18.146 19.000 0.071 0.000 0.812 35 A HN 0.337 nan 8.150 nan 0.000 0.450 36 S N -3.352 112.377 115.700 0.048 0.000 2.559 36 S HA 0.407 4.880 4.470 0.005 0.000 0.226 36 S C 1.402 176.014 174.600 0.021 0.000 1.030 36 S CA 1.116 59.337 58.200 0.034 0.000 0.956 36 S CB -0.034 63.188 63.200 0.036 0.000 0.900 36 S HN 1.805 nan 8.310 nan 0.000 0.510 37 G N 1.201 110.013 108.800 0.020 0.000 2.187 37 G HA2 -0.244 3.719 3.960 0.005 0.000 0.261 37 G HA3 -0.244 3.719 3.960 0.005 0.000 0.261 37 G C 0.097 175.001 174.900 0.006 0.000 1.000 37 G CA 0.497 45.603 45.100 0.011 0.000 0.718 37 G HN 0.691 nan 8.290 nan 0.000 0.519 38 V N 0.645 120.563 119.914 0.006 0.000 2.644 38 V HA 0.702 4.825 4.120 0.005 0.000 0.295 38 V C 1.091 177.182 176.094 -0.005 0.000 1.053 38 V CA -0.239 62.059 62.300 -0.003 0.000 0.987 38 V CB 1.618 33.435 31.823 -0.009 0.000 1.006 38 V HN 1.035 nan 8.190 nan 0.000 0.472 39 A N 4.656 127.472 122.820 -0.007 0.000 2.488 39 A HA 0.366 4.689 4.320 0.005 0.000 0.249 39 A C 0.710 178.291 177.584 -0.006 0.000 1.083 39 A CA 0.141 52.176 52.037 -0.004 0.000 0.768 39 A CB 0.060 19.057 19.000 -0.005 0.000 1.017 39 A HN 0.919 nan 8.150 nan 0.000 0.496 40 L N 1.905 123.133 121.223 0.007 0.000 2.445 40 L HA 0.376 4.719 4.340 0.005 0.000 0.207 40 L C 1.328 178.229 176.870 0.052 0.000 1.053 40 L CA 1.048 55.901 54.840 0.021 0.000 0.841 40 L CB 0.301 42.387 42.059 0.045 0.000 1.074 40 L HN 0.901 nan 8.230 nan 0.000 0.479 41 G N -1.133 107.684 108.800 0.028 0.000 2.529 41 G HA2 0.432 4.395 3.960 0.005 0.000 0.238 41 G HA3 0.432 4.395 3.960 0.005 0.000 0.238 41 G C -1.521 173.347 174.900 -0.052 0.000 1.207 41 G CA 0.441 45.540 45.100 -0.002 0.000 0.928 41 G HN 0.146 nan 8.290 nan 0.000 0.495 42 S N -1.381 114.245 115.700 -0.124 0.000 2.595 42 S HA 0.696 5.169 4.470 0.005 0.000 0.270 42 S C -1.033 173.465 174.600 -0.170 0.000 1.145 42 S CA -0.346 57.786 58.200 -0.113 0.000 0.825 42 S CB 1.129 64.286 63.200 -0.072 0.000 1.107 42 S HN 1.814 nan 8.310 nan 0.000 0.461 43 I N -2.204 118.295 120.570 -0.119 0.000 2.785 43 I HA 0.752 4.925 4.170 0.005 0.000 0.302 43 I C -3.095 172.979 176.117 -0.072 0.000 1.069 43 I CA -3.161 58.070 61.300 -0.115 0.000 1.045 43 I CB 2.009 39.949 38.000 -0.099 0.000 1.236 43 I HN 0.321 nan 8.210 nan 0.000 0.429 44 P HA 0.091 nan 4.420 nan 0.000 0.266 44 P C -0.647 176.630 177.300 -0.038 0.000 1.195 44 P CA -0.061 63.016 63.100 -0.038 0.000 0.768 44 P CB 0.671 32.356 31.700 -0.024 0.000 0.838 45 A N 4.828 127.628 122.820 -0.033 0.000 2.774 45 A HA 0.351 4.674 4.320 0.005 0.000 0.326 45 A C 0.305 177.870 177.584 -0.031 0.000 1.478 45 A CA -0.557 51.461 52.037 -0.032 0.000 1.099 45 A CB -0.937 18.046 19.000 -0.028 0.000 1.148 45 A HN 0.471 nan 8.150 nan 0.000 0.519 46 L N 1.616 122.819 121.223 -0.033 0.000 2.476 46 L HA 0.244 4.587 4.340 0.005 0.000 0.264 46 L C 1.290 178.137 176.870 -0.039 0.000 1.224 46 L CA -0.168 54.652 54.840 -0.034 0.000 0.821 46 L CB 0.656 42.694 42.059 -0.035 0.000 1.101 46 L HN 0.765 nan 8.230 nan 0.000 0.488 47 S N 0.001 115.675 115.700 -0.044 0.000 2.713 47 S HA 0.230 4.703 4.470 0.005 0.000 0.283 47 S C 0.488 175.036 174.600 -0.086 0.000 1.161 47 S CA -0.782 57.380 58.200 -0.063 0.000 0.999 47 S CB 1.500 64.666 63.200 -0.056 0.000 1.039 47 S HN 0.648 nan 8.310 nan 0.000 0.548 48 Q N 0.239 119.942 119.800 -0.162 0.000 2.124 48 Q HA -0.151 4.192 4.340 0.005 0.000 0.202 48 Q C 1.727 177.638 176.000 -0.149 0.000 0.977 48 Q CA 1.802 57.413 55.803 -0.320 0.000 0.850 48 Q CB -0.300 28.003 28.738 -0.725 0.000 0.901 48 Q HN 0.781 nan 8.270 nan 0.000 0.429 49 E N 1.060 121.204 120.200 -0.093 0.000 2.077 49 E HA -0.180 4.173 4.350 0.005 0.000 0.193 49 E C 1.637 178.232 176.600 -0.008 0.000 0.989 49 E CA 1.117 57.503 56.400 -0.023 0.000 0.800 49 E CB 0.020 29.705 29.700 -0.025 0.000 0.746 49 E HN 0.356 nan 8.360 nan 0.000 0.452 50 E N 0.014 120.199 120.200 -0.025 0.000 2.204 50 E HA -0.127 4.226 4.350 0.005 0.000 0.194 50 E C 1.969 178.555 176.600 -0.023 0.000 0.989 50 E CA 0.789 57.174 56.400 -0.025 0.000 0.824 50 E CB 0.087 29.768 29.700 -0.031 0.000 0.756 50 E HN 0.066 nan 8.360 nan 0.000 0.477 51 V N 2.103 122.013 119.914 -0.006 0.000 2.295 51 V HA -0.274 3.849 4.120 0.005 0.000 0.246 51 V C 1.791 177.865 176.094 -0.033 0.000 1.049 51 V CA 1.709 64.012 62.300 0.004 0.000 1.024 51 V CB -0.517 31.367 31.823 0.102 0.000 0.648 51 V HN 0.299 nan 8.190 nan 0.000 0.447 52 N N 0.476 119.201 118.700 0.041 0.000 2.137 52 N HA -0.187 4.556 4.740 0.005 0.000 0.190 52 N C 1.519 177.015 175.510 -0.024 0.000 1.017 52 N CA 1.784 54.853 53.050 0.031 0.000 0.859 52 N CB -0.502 38.090 38.487 0.175 0.000 1.002 52 N HN 0.514 nan 8.380 nan 0.000 0.428 53 D N 0.871 121.260 120.400 -0.019 0.000 2.084 53 D HA -0.018 4.625 4.640 0.005 0.000 0.196 53 D C 1.938 178.204 176.300 -0.056 0.000 0.985 53 D CA 1.186 55.168 54.000 -0.030 0.000 0.826 53 D CB -0.435 40.348 40.800 -0.029 0.000 0.978 53 D HN 0.191 nan 8.370 nan 0.000 0.456 54 A N 1.234 124.012 122.820 -0.070 0.000 1.884 54 A HA -0.217 4.106 4.320 0.005 0.000 0.219 54 A C 2.419 179.943 177.584 -0.101 0.000 1.197 54 A CA 1.411 53.395 52.037 -0.088 0.000 0.637 54 A CB -0.951 17.999 19.000 -0.085 0.000 0.827 54 A HN 0.227 nan 8.150 nan 0.000 0.450 55 I N -1.193 119.294 120.570 -0.138 0.000 2.252 55 I HA -0.251 3.922 4.170 0.005 0.000 0.245 55 I C 2.772 178.831 176.117 -0.097 0.000 1.102 55 I CA 1.729 62.927 61.300 -0.169 0.000 1.385 55 I CB -0.285 37.482 38.000 -0.389 0.000 1.064 55 I HN 0.418 nan 8.210 nan 0.000 0.414 56 Q N 1.290 121.050 119.800 -0.067 0.000 2.079 56 Q HA -0.117 4.226 4.340 0.005 0.000 0.200 56 Q C 2.115 178.096 176.000 -0.031 0.000 0.974 56 Q CA 2.071 57.859 55.803 -0.024 0.000 0.840 56 Q CB -0.684 28.053 28.738 -0.001 0.000 0.898 56 Q HN 0.456 nan 8.270 nan 0.000 0.430 57 G N -0.144 108.627 108.800 -0.048 0.000 2.422 57 G HA2 -0.207 3.756 3.960 0.005 0.000 0.218 57 G HA3 -0.207 3.756 3.960 0.005 0.000 0.218 57 G C 1.467 176.330 174.900 -0.062 0.000 1.146 57 G CA 0.939 46.006 45.100 -0.056 0.000 0.769 57 G HN 0.519 nan 8.290 nan 0.000 0.547 58 A N 0.482 123.260 122.820 -0.069 0.000 1.902 58 A HA 0.026 4.349 4.320 0.005 0.000 0.217 58 A C 2.250 179.812 177.584 -0.036 0.000 1.181 58 A CA 2.087 54.082 52.037 -0.069 0.000 0.623 58 A CB -0.341 18.617 19.000 -0.071 0.000 0.818 58 A HN 0.374 nan 8.150 nan 0.000 0.443 59 K N -0.512 119.876 120.400 -0.021 0.000 2.031 59 K HA -0.125 4.198 4.320 0.005 0.000 0.205 59 K C 1.600 178.206 176.600 0.010 0.000 1.049 59 K CA 1.393 57.681 56.287 0.002 0.000 0.939 59 K CB -0.150 32.355 32.500 0.009 0.000 0.717 59 K HN 0.365 nan 8.250 nan 0.000 0.438 60 D N 0.419 120.820 120.400 0.001 0.000 2.106 60 D HA -0.207 4.436 4.640 0.005 0.000 0.191 60 D C 1.725 178.033 176.300 0.013 0.000 0.997 60 D CA 1.707 55.710 54.000 0.005 0.000 0.834 60 D CB -0.353 40.444 40.800 -0.005 0.000 0.956 60 D HN 0.293 nan 8.370 nan 0.000 0.448 61 A N 0.664 123.483 122.820 -0.001 0.000 1.972 61 A HA -0.203 4.120 4.320 0.005 0.000 0.219 61 A C 2.082 179.710 177.584 0.072 0.000 1.169 61 A CA 1.394 53.436 52.037 0.009 0.000 0.635 61 A CB -0.514 18.453 19.000 -0.056 0.000 0.810 61 A HN 0.165 nan 8.150 nan 0.000 0.446 62 Q N 0.381 120.222 119.800 0.069 0.000 2.124 62 Q HA -0.202 4.141 4.340 0.005 0.000 0.202 62 Q C 1.771 177.849 176.000 0.130 0.000 0.977 62 Q CA 1.875 57.759 55.803 0.135 0.000 0.850 62 Q CB -0.194 28.598 28.738 0.090 0.000 0.901 62 Q HN 0.743 nan 8.270 nan 0.000 0.429 63 K N -0.208 120.238 120.400 0.078 0.000 2.152 63 K HA -0.128 4.195 4.320 0.005 0.000 0.206 63 K C 2.105 178.741 176.600 0.060 0.000 1.048 63 K CA 1.301 57.621 56.287 0.055 0.000 0.933 63 K CB -0.039 32.482 32.500 0.036 0.000 0.721 63 K HN 0.253 nan 8.250 nan 0.000 0.447 64 I N -0.560 120.062 120.570 0.087 0.000 2.494 64 I HA -0.157 4.016 4.170 0.005 0.000 0.250 64 I C 2.298 178.498 176.117 0.138 0.000 1.112 64 I CA 0.463 61.816 61.300 0.089 0.000 1.438 64 I CB -0.204 37.849 38.000 0.088 0.000 1.111 64 I HN 0.329 nan 8.210 nan 0.000 0.431 65 W N 3.698 124.979 121.300 -0.031 0.000 2.335 65 W HA -0.283 4.379 4.660 0.004 0.000 0.311 65 W C 2.284 178.784 176.519 -0.033 0.000 1.213 65 W CA 1.988 59.311 57.345 -0.037 0.000 1.274 65 W CB 0.054 29.488 29.460 -0.042 0.000 1.148 65 W HN 0.166 nan 8.180 nan 0.000 0.498 66 K N -0.353 120.049 120.400 0.004 0.000 2.362 66 K HA -0.169 4.154 4.320 0.005 0.000 0.200 66 K C 1.437 177.942 176.600 -0.158 0.000 1.046 66 K CA 1.462 57.677 56.287 -0.121 0.000 0.952 66 K CB -0.498 31.995 32.500 -0.011 0.000 0.753 66 K HN 0.098 nan 8.250 nan 0.000 0.466 67 I N 1.551 122.050 120.570 -0.118 0.000 3.226 67 I HA 0.016 4.189 4.170 0.005 0.000 0.277 67 I C 0.393 176.421 176.117 -0.148 0.000 1.243 67 I CA 0.186 61.426 61.300 -0.099 0.000 1.459 67 I CB -0.665 37.307 38.000 -0.047 0.000 1.093 67 I HN 0.120 nan 8.210 nan 0.000 0.453 68 R N 2.387 122.742 120.500 -0.242 0.000 2.538 68 R HA 0.102 4.445 4.340 0.005 0.000 0.282 68 R C -2.163 173.960 176.300 -0.296 0.000 1.009 68 R CA -1.404 54.515 56.100 -0.301 0.000 1.063 68 R CB -0.818 29.182 30.300 -0.500 0.000 0.945 68 R HN 0.028 nan 8.270 nan 0.000 0.414 69 P HA -0.038 nan 4.420 nan 0.000 0.266 69 P C 1.121 178.281 177.300 -0.234 0.000 1.195 69 P CA -0.208 62.803 63.100 -0.148 0.000 0.768 69 P CB 0.414 32.099 31.700 -0.025 0.000 0.838 70 I N 3.526 124.019 120.570 -0.129 0.000 2.145 70 I HA -0.313 3.860 4.170 0.005 0.000 0.244 70 I C 2.293 178.335 176.117 -0.126 0.000 1.075 70 I CA 1.849 63.070 61.300 -0.130 0.000 1.332 70 I CB -0.832 37.138 38.000 -0.051 0.000 1.033 70 I HN 0.543 nan 8.210 nan 0.000 0.410 71 H N 0.099 119.127 119.070 -0.069 0.000 2.457 71 H HA -0.151 4.407 4.556 0.003 0.000 0.297 71 H C 1.709 177.019 175.328 -0.030 0.000 1.092 71 H CA 1.808 57.838 56.048 -0.031 0.000 1.309 71 H CB -0.562 29.199 29.762 -0.002 0.000 1.382 71 H HN 0.546 nan 8.280 nan 0.000 0.535 72 E N 0.736 120.502 120.200 -0.724 0.000 2.076 72 E HA -0.039 4.314 4.350 0.005 0.000 0.190 72 E C 2.563 179.027 176.600 -0.228 0.000 0.979 72 E CA 0.288 56.405 56.400 -0.471 0.000 0.807 72 E CB 0.159 29.571 29.700 -0.481 0.000 0.761 72 E HN 0.458 nan 8.360 nan 0.000 0.454 73 R N 0.340 120.652 120.500 -0.313 0.000 2.075 73 R HA -0.089 4.254 4.340 0.005 0.000 0.232 73 R C 2.396 178.664 176.300 -0.053 0.000 1.126 73 R CA 0.882 56.860 56.100 -0.203 0.000 0.963 73 R CB -0.305 29.747 30.300 -0.413 0.000 0.858 73 R HN 0.017 nan 8.270 nan 0.000 0.435 74 V N 1.548 121.381 119.914 -0.136 0.000 2.343 74 V HA -0.255 3.868 4.120 0.005 0.000 0.247 74 V C 1.448 177.340 176.094 -0.338 0.000 1.051 74 V CA 1.962 64.112 62.300 -0.250 0.000 1.036 74 V CB -0.408 31.294 31.823 -0.202 0.000 0.654 74 V HN 0.292 nan 8.190 nan 0.000 0.451 75 D N -0.313 120.041 120.400 -0.078 0.000 2.178 75 D HA -0.145 4.498 4.640 0.005 0.000 0.201 75 D C 1.910 178.283 176.300 0.121 0.000 0.980 75 D CA 1.018 55.082 54.000 0.106 0.000 0.842 75 D CB -0.209 40.677 40.800 0.143 0.000 0.948 75 D HN 0.362 nan 8.370 nan 0.000 0.472 76 L N 0.248 121.534 121.223 0.105 0.000 2.056 76 L HA -0.109 4.234 4.340 0.005 0.000 0.207 76 L C 1.991 178.979 176.870 0.197 0.000 1.078 76 L CA 1.200 56.136 54.840 0.161 0.000 0.749 76 L CB -0.565 41.623 42.059 0.215 0.000 0.901 76 L HN -0.074 nan 8.230 nan 0.000 0.433 77 L N -1.179 120.131 121.223 0.145 0.000 2.013 77 L HA -0.273 4.070 4.340 0.005 0.000 0.212 77 L C 2.441 179.431 176.870 0.199 0.000 1.073 77 L CA 1.871 56.826 54.840 0.191 0.000 0.753 77 L CB -1.212 40.855 42.059 0.014 0.000 0.890 77 L HN 0.268 nan 8.230 nan 0.000 0.432 78 Y N -0.704 119.684 120.300 0.148 0.000 2.145 78 Y HA -0.213 4.340 4.550 0.005 0.000 0.286 78 Y C 2.503 178.470 175.900 0.111 0.000 1.145 78 Y CA 0.800 58.958 58.100 0.097 0.000 1.148 78 Y CB -1.446 37.058 38.460 0.074 0.000 0.981 78 Y HN 0.178 nan 8.280 nan 0.000 0.507 79 A N -0.502 122.504 122.820 0.310 0.000 1.908 79 A HA -0.237 4.086 4.320 0.005 0.000 0.218 79 A C 2.101 179.850 177.584 0.274 0.000 1.181 79 A CA 1.641 53.819 52.037 0.234 0.000 0.627 79 A CB -1.402 17.714 19.000 0.193 0.000 0.818 79 A HN 0.645 nan 8.150 nan 0.000 0.445 80 W N 0.785 122.131 121.300 0.078 0.000 2.354 80 W HA -0.127 4.536 4.660 0.006 0.000 0.315 80 W C 2.500 179.051 176.519 0.053 0.000 1.206 80 W CA 1.745 59.121 57.345 0.053 0.000 1.290 80 W CB -0.861 28.618 29.460 0.031 0.000 1.152 80 W HN 0.368 nan 8.180 nan 0.000 0.489 81 A N 0.356 123.197 122.820 0.034 0.000 1.908 81 A HA -0.235 4.088 4.320 0.005 0.000 0.218 81 A C 1.799 179.363 177.584 -0.033 0.000 1.181 81 A CA 2.212 54.168 52.037 -0.134 0.000 0.627 81 A CB -1.052 17.912 19.000 -0.061 0.000 0.818 81 A HN 0.307 nan 8.150 nan 0.000 0.445 82 D N 0.032 120.463 120.400 0.052 0.000 2.117 82 D HA -0.125 4.518 4.640 0.005 0.000 0.197 82 D C 1.953 178.278 176.300 0.043 0.000 0.987 82 D CA 1.044 55.069 54.000 0.042 0.000 0.829 82 D CB -0.366 40.471 40.800 0.061 0.000 0.961 82 D HN 0.449 nan 8.370 nan 0.000 0.460 83 L N 0.314 121.587 121.223 0.084 0.000 2.056 83 L HA -0.119 4.224 4.340 0.005 0.000 0.207 83 L C 2.589 179.497 176.870 0.064 0.000 1.078 83 L CA 0.491 55.385 54.840 0.090 0.000 0.749 83 L CB -0.280 41.865 42.059 0.144 0.000 0.901 83 L HN 0.069 nan 8.230 nan 0.000 0.433 84 L N -0.185 121.062 121.223 0.040 0.000 1.956 84 L HA -0.314 4.029 4.340 0.005 0.000 0.216 84 L C 2.610 179.461 176.870 -0.032 0.000 1.073 84 L CA 1.961 56.788 54.840 -0.021 0.000 0.762 84 L CB -0.639 41.321 42.059 -0.166 0.000 0.889 84 L HN 0.375 nan 8.230 nan 0.000 0.433 85 E N 0.252 120.423 120.200 -0.048 0.000 2.114 85 E HA -0.329 4.024 4.350 0.005 0.000 0.199 85 E C 2.022 178.610 176.600 -0.020 0.000 1.008 85 E CA 1.891 58.268 56.400 -0.039 0.000 0.810 85 E CB -0.031 29.645 29.700 -0.039 0.000 0.739 85 E HN 0.425 nan 8.360 nan 0.000 0.456 86 E N -0.076 120.121 120.200 -0.006 0.000 2.153 86 E HA -0.165 4.188 4.350 0.005 0.000 0.194 86 E C 1.216 177.815 176.600 -0.002 0.000 0.988 86 E CA 1.001 57.401 56.400 -0.000 0.000 0.811 86 E CB 0.140 29.847 29.700 0.012 0.000 0.746 86 E HN 0.148 nan 8.360 nan 0.000 0.466 87 R N -0.192 120.309 120.500 0.000 0.000 2.552 87 R HA 0.102 4.445 4.340 0.005 0.000 0.314 87 R C 1.540 177.835 176.300 -0.009 0.000 1.041 87 R CA 0.033 56.131 56.100 -0.003 0.000 1.076 87 R CB 0.332 30.637 30.300 0.007 0.000 1.290 87 R HN 0.116 nan 8.270 nan 0.000 0.563 88 K N 0.870 121.261 120.400 -0.014 0.000 2.148 88 K HA -0.164 4.159 4.320 0.005 0.000 0.204 88 K C 1.671 178.260 176.600 -0.019 0.000 1.050 88 K CA 1.335 57.610 56.287 -0.020 0.000 0.942 88 K CB 0.056 32.540 32.500 -0.027 0.000 0.724 88 K HN 0.158 nan 8.250 nan 0.000 0.446 89 E N 1.374 121.563 120.200 -0.018 0.000 2.031 89 E HA -0.179 4.174 4.350 0.005 0.000 0.193 89 E C 2.097 178.688 176.600 -0.014 0.000 0.994 89 E CA 1.207 57.597 56.400 -0.017 0.000 0.800 89 E CB -0.035 29.656 29.700 -0.015 0.000 0.752 89 E HN 0.420 nan 8.360 nan 0.000 0.447 90 I N 0.825 121.385 120.570 -0.016 0.000 2.179 90 I HA -0.284 3.889 4.170 0.005 0.000 0.242 90 I C 2.490 178.600 176.117 -0.011 0.000 1.088 90 I CA 1.093 62.381 61.300 -0.020 0.000 1.357 90 I CB -0.191 37.786 38.000 -0.038 0.000 1.051 90 I HN 0.235 nan 8.210 nan 0.000 0.409 91 I N 0.335 120.902 120.570 -0.005 0.000 2.252 91 I HA -0.172 4.001 4.170 0.005 0.000 0.245 91 I C 2.652 178.777 176.117 0.014 0.000 1.102 91 I CA 1.350 62.658 61.300 0.013 0.000 1.385 91 I CB -0.831 37.184 38.000 0.026 0.000 1.064 91 I HN 0.230 nan 8.210 nan 0.000 0.414 92 G N 0.539 109.336 108.800 -0.005 0.000 2.446 92 G HA2 -0.322 3.642 3.960 0.005 0.000 0.217 92 G HA3 -0.322 3.642 3.960 0.005 0.000 0.217 92 G C 1.529 176.412 174.900 -0.028 0.000 1.168 92 G CA 1.036 46.124 45.100 -0.020 0.000 0.771 92 G HN 0.496 nan 8.290 nan 0.000 0.551 93 E N -0.217 119.971 120.200 -0.019 0.000 2.085 93 E HA -0.155 4.198 4.350 0.005 0.000 0.194 93 E C 2.390 179.011 176.600 0.035 0.000 0.994 93 E CA 1.082 57.468 56.400 -0.023 0.000 0.801 93 E CB -0.238 29.479 29.700 0.028 0.000 0.743 93 E HN 0.341 nan 8.360 nan 0.000 0.453 94 L N 0.827 122.097 121.223 0.079 0.000 2.056 94 L HA -0.097 4.246 4.340 0.005 0.000 0.207 94 L C 2.160 179.103 176.870 0.122 0.000 1.078 94 L CA 1.331 56.253 54.840 0.136 0.000 0.749 94 L CB -0.239 41.887 42.059 0.111 0.000 0.901 94 L HN 0.238 nan 8.230 nan 0.000 0.433 95 I N -1.110 119.500 120.570 0.067 0.000 2.099 95 I HA -0.393 3.780 4.170 0.005 0.000 0.239 95 I C 2.606 178.736 176.117 0.022 0.000 1.066 95 I CA 2.031 63.358 61.300 0.044 0.000 1.324 95 I CB -0.453 37.546 38.000 -0.002 0.000 1.037 95 I HN 0.370 nan 8.210 nan 0.000 0.401 96 M N 0.181 119.756 119.600 -0.042 0.000 2.147 96 M HA -0.350 4.133 4.480 0.005 0.000 0.253 96 M C 2.477 178.730 176.300 -0.078 0.000 1.075 96 M CA 2.119 57.358 55.300 -0.102 0.000 1.085 96 M CB -0.514 31.957 32.600 -0.215 0.000 1.305 96 M HN 0.346 nan 8.290 nan 0.000 0.409 97 H N -1.138 117.962 119.070 0.050 0.000 2.403 97 H HA -0.052 4.507 4.556 0.005 0.000 0.298 97 H C 1.928 177.296 175.328 0.067 0.000 1.059 97 H CA 1.706 57.786 56.048 0.054 0.000 1.363 97 H CB -0.360 29.431 29.762 0.049 0.000 1.410 97 H HN 0.596 nan 8.280 nan 0.000 0.528 98 E N 0.978 121.301 120.200 0.205 0.000 2.152 98 E HA -0.084 4.269 4.350 0.005 0.000 0.192 98 E C 1.419 178.110 176.600 0.152 0.000 0.983 98 E CA 1.281 57.778 56.400 0.161 0.000 0.818 98 E CB 0.365 30.159 29.700 0.158 0.000 0.758 98 E HN 0.298 nan 8.360 nan 0.000 0.467 99 V N -4.375 115.639 119.914 0.166 0.000 3.337 99 V HA 0.593 4.716 4.120 0.005 0.000 0.307 99 V C 0.410 176.666 176.094 0.269 0.000 1.505 99 V CA 0.188 62.632 62.300 0.240 0.000 1.072 99 V CB 0.248 32.273 31.823 0.337 0.000 0.929 99 V HN 0.149 nan 8.190 nan 0.000 0.455 100 A N 0.362 123.288 122.820 0.176 0.000 2.872 100 A HA -0.273 4.050 4.320 0.005 0.000 0.273 100 A C 0.496 178.212 177.584 0.219 0.000 1.442 100 A CA 1.534 53.662 52.037 0.152 0.000 0.801 100 A CB -2.303 16.769 19.000 0.120 0.000 1.031 100 A HN 0.982 nan 8.150 nan 0.000 0.582 101 K N 0.199 120.702 120.400 0.172 0.000 2.297 101 K HA 0.453 4.776 4.320 0.005 0.000 0.286 101 K C -2.495 174.121 176.600 0.027 0.000 1.053 101 K CA -2.131 54.217 56.287 0.101 0.000 0.940 101 K CB 0.598 33.000 32.500 -0.163 0.000 1.019 101 K HN 0.137 nan 8.250 nan 0.000 0.475 102 P HA -0.166 nan 4.420 nan 0.000 0.261 102 P C 0.042 177.323 177.300 -0.032 0.000 1.165 102 P CA 0.385 63.490 63.100 0.009 0.000 0.759 102 P CB 0.595 32.310 31.700 0.026 0.000 0.772 103 K N 4.347 124.720 120.400 -0.044 0.000 2.034 103 K HA -0.251 4.072 4.320 0.005 0.000 0.214 103 K C 1.395 177.965 176.600 -0.049 0.000 1.051 103 K CA 1.913 58.164 56.287 -0.060 0.000 0.931 103 K CB -0.088 32.378 32.500 -0.058 0.000 0.715 103 K HN 0.329 nan 8.250 nan 0.000 0.446 104 K N -0.049 120.330 120.400 -0.036 0.000 2.217 104 K HA -0.071 4.253 4.320 0.005 0.000 0.202 104 K C 2.227 178.806 176.600 -0.034 0.000 1.051 104 K CA 1.146 57.414 56.287 -0.031 0.000 0.952 104 K CB -0.012 32.475 32.500 -0.023 0.000 0.736 104 K HN 0.150 nan 8.250 nan 0.000 0.453 105 S N 0.681 116.358 115.700 -0.038 0.000 2.414 105 S HA -0.019 4.454 4.470 0.005 0.000 0.227 105 S C 2.041 176.598 174.600 -0.071 0.000 1.022 105 S CA 0.836 59.007 58.200 -0.048 0.000 0.958 105 S CB 0.022 63.192 63.200 -0.050 0.000 0.797 105 S HN 0.308 nan 8.310 nan 0.000 0.493 106 A N 1.709 124.481 122.820 -0.081 0.000 1.873 106 A HA 0.127 4.450 4.320 0.005 0.000 0.215 106 A C 2.088 179.639 177.584 -0.055 0.000 1.186 106 A CA 1.313 53.299 52.037 -0.085 0.000 0.616 106 A CB -0.742 18.209 19.000 -0.083 0.000 0.823 106 A HN 0.616 nan 8.150 nan 0.000 0.442 107 I N -0.167 120.375 120.570 -0.047 0.000 2.226 107 I HA -0.182 3.991 4.170 0.005 0.000 0.245 107 I C 2.688 178.783 176.117 -0.038 0.000 1.100 107 I CA 1.081 62.358 61.300 -0.038 0.000 1.374 107 I CB -0.713 37.266 38.000 -0.035 0.000 1.057 107 I HN 0.384 nan 8.210 nan 0.000 0.413 108 G N 0.401 109.178 108.800 -0.038 0.000 2.442 108 G HA2 -0.303 3.660 3.960 0.005 0.000 0.219 108 G HA3 -0.303 3.660 3.960 0.005 0.000 0.219 108 G C 1.527 176.405 174.900 -0.036 0.000 1.141 108 G CA 0.898 45.977 45.100 -0.036 0.000 0.763 108 G HN 0.473 nan 8.290 nan 0.000 0.554 109 E N -0.078 120.106 120.200 -0.027 0.000 2.097 109 E HA -0.152 4.201 4.350 0.005 0.000 0.196 109 E C 2.580 179.158 176.600 -0.037 0.000 1.000 109 E CA 1.445 57.840 56.400 -0.010 0.000 0.804 109 E CB -0.098 29.607 29.700 0.009 0.000 0.740 109 E HN 0.294 nan 8.360 nan 0.000 0.454 110 V N 0.286 120.175 119.914 -0.042 0.000 2.379 110 V HA -0.204 3.919 4.120 0.005 0.000 0.245 110 V C 2.416 178.464 176.094 -0.077 0.000 1.044 110 V CA 1.675 63.941 62.300 -0.057 0.000 1.036 110 V CB -0.452 31.346 31.823 -0.041 0.000 0.664 110 V HN 0.236 nan 8.190 nan 0.000 0.453 111 S N -0.303 115.359 115.700 -0.063 0.000 2.359 111 S HA -0.303 4.170 4.470 0.005 0.000 0.223 111 S C 2.148 176.700 174.600 -0.079 0.000 1.039 111 S CA 2.261 60.422 58.200 -0.065 0.000 1.042 111 S CB -0.417 62.752 63.200 -0.051 0.000 0.915 111 S HN 0.564 nan 8.310 nan 0.000 0.439 112 R N 0.484 120.936 120.500 -0.080 0.000 2.096 112 R HA -0.102 4.241 4.340 0.005 0.000 0.235 112 R C 2.161 178.388 176.300 -0.122 0.000 1.127 112 R CA 1.810 57.852 56.100 -0.097 0.000 0.968 112 R CB -0.601 29.638 30.300 -0.102 0.000 0.861 112 R HN 0.350 nan 8.270 nan 0.000 0.440 113 T N 0.585 115.060 114.554 -0.131 0.000 2.708 113 T HA -0.133 4.220 4.350 0.005 0.000 0.266 113 T C 1.857 176.419 174.700 -0.231 0.000 1.037 113 T CA 1.456 63.446 62.100 -0.184 0.000 1.146 113 T CB -0.368 68.387 68.868 -0.188 0.000 0.865 113 T HN 0.466 nan 8.240 nan 0.000 0.435 114 A N 1.953 124.652 122.820 -0.203 0.000 1.933 114 A HA -0.163 4.160 4.320 0.005 0.000 0.218 114 A C 2.088 179.596 177.584 -0.127 0.000 1.175 114 A CA 1.755 53.672 52.037 -0.200 0.000 0.628 114 A CB -0.615 18.302 19.000 -0.139 0.000 0.814 114 A HN 0.360 nan 8.150 nan 0.000 0.444 115 D N -0.049 120.294 120.400 -0.095 0.000 2.117 115 D HA -0.091 4.552 4.640 0.005 0.000 0.198 115 D C 1.800 178.081 176.300 -0.031 0.000 0.982 115 D CA 1.003 54.973 54.000 -0.049 0.000 0.828 115 D CB -0.349 40.421 40.800 -0.050 0.000 0.967 115 D HN 0.511 nan 8.370 nan 0.000 0.464 116 I N 0.572 121.093 120.570 -0.082 0.000 2.286 116 I HA -0.230 3.943 4.170 0.005 0.000 0.248 116 I C 2.223 178.311 176.117 -0.048 0.000 1.115 116 I CA 0.682 61.936 61.300 -0.076 0.000 1.392 116 I CB -0.039 37.886 38.000 -0.126 0.000 1.065 116 I HN -0.046 nan 8.210 nan 0.000 0.418 117 I N 0.196 120.698 120.570 -0.114 0.000 2.202 117 I HA -0.271 3.902 4.170 0.005 0.000 0.242 117 I C 2.662 178.783 176.117 0.007 0.000 1.091 117 I CA 1.367 62.599 61.300 -0.113 0.000 1.368 117 I CB -0.366 37.446 38.000 -0.313 0.000 1.058 117 I HN 0.102 nan 8.210 nan 0.000 0.410 118 R N -0.521 120.014 120.500 0.059 0.000 2.073 118 R HA -0.204 4.139 4.340 0.005 0.000 0.234 118 R C 2.340 178.742 176.300 0.170 0.000 1.134 118 R CA 1.727 57.937 56.100 0.183 0.000 0.952 118 R CB -0.720 29.683 30.300 0.172 0.000 0.850 118 R HN 0.447 nan 8.270 nan 0.000 0.433 119 H N 0.102 119.194 119.070 0.037 0.000 2.352 119 H HA -0.091 4.468 4.556 0.005 0.000 0.299 119 H C 1.780 177.124 175.328 0.026 0.000 1.097 119 H CA 2.084 58.145 56.048 0.022 0.000 1.311 119 H CB 0.176 29.928 29.762 -0.016 0.000 1.377 119 H HN 0.063 nan 8.280 nan 0.000 0.504 120 T N 0.070 114.744 114.554 0.200 0.000 2.720 120 T HA -0.192 4.161 4.350 0.005 0.000 0.268 120 T C 2.175 176.914 174.700 0.066 0.000 1.037 120 T CA 1.146 63.320 62.100 0.125 0.000 1.144 120 T CB -0.579 68.333 68.868 0.072 0.000 0.864 120 T HN 0.547 nan 8.240 nan 0.000 0.444 121 A N 2.032 124.860 122.820 0.014 0.000 1.858 121 A HA -0.170 4.153 4.320 0.005 0.000 0.216 121 A C 2.123 179.688 177.584 -0.032 0.000 1.190 121 A CA 1.890 53.867 52.037 -0.100 0.000 0.617 121 A CB -0.798 17.971 19.000 -0.385 0.000 0.827 121 A HN 0.358 nan 8.150 nan 0.000 0.443 122 D N -0.180 120.250 120.400 0.050 0.000 2.116 122 D HA -0.148 4.495 4.640 0.005 0.000 0.193 122 D C 1.945 178.251 176.300 0.009 0.000 0.998 122 D CA 1.440 55.464 54.000 0.040 0.000 0.836 122 D CB -0.303 40.458 40.800 -0.066 0.000 0.951 122 D HN 0.415 nan 8.370 nan 0.000 0.449 123 E N 0.386 120.605 120.200 0.032 0.000 2.072 123 E HA -0.069 4.284 4.350 0.005 0.000 0.191 123 E C 2.087 178.717 176.600 0.049 0.000 0.985 123 E CA 0.817 57.257 56.400 0.065 0.000 0.801 123 E CB -0.287 29.503 29.700 0.151 0.000 0.750 123 E HN 0.227 nan 8.360 nan 0.000 0.452 124 A N 0.896 123.739 122.820 0.039 0.000 2.019 124 A HA -0.136 4.187 4.320 0.005 0.000 0.219 124 A C 2.194 179.784 177.584 0.011 0.000 1.164 124 A CA 0.887 52.936 52.037 0.022 0.000 0.644 124 A CB -0.428 18.577 19.000 0.009 0.000 0.805 124 A HN 0.208 nan 8.150 nan 0.000 0.449 125 L N -0.644 120.586 121.223 0.012 0.000 2.217 125 L HA 0.014 4.357 4.340 0.005 0.000 0.211 125 L C 1.859 178.742 176.870 0.022 0.000 1.107 125 L CA 1.478 56.330 54.840 0.020 0.000 0.783 125 L CB -0.213 41.871 42.059 0.042 0.000 0.919 125 L HN 0.314 nan 8.230 nan 0.000 0.442 126 R N -1.019 119.495 120.500 0.022 0.000 2.515 126 R HA 0.271 4.614 4.340 0.005 0.000 0.294 126 R C -0.352 175.962 176.300 0.023 0.000 1.021 126 R CA -0.239 55.874 56.100 0.021 0.000 1.081 126 R CB 0.065 30.377 30.300 0.020 0.000 1.263 126 R HN 0.184 nan 8.270 nan 0.000 0.557 127 L N 2.615 123.851 121.223 0.022 0.000 2.342 127 L HA 0.169 4.512 4.340 0.005 0.000 0.285 127 L C -0.397 176.481 176.870 0.014 0.000 1.095 127 L CA -0.169 54.684 54.840 0.021 0.000 0.843 127 L CB 0.223 42.293 42.059 0.018 0.000 1.201 127 L HN 0.163 nan 8.230 nan 0.000 0.445 128 N N 2.496 121.205 118.700 0.015 0.000 2.487 128 N HA 0.348 5.091 4.740 0.005 0.000 0.292 128 N C 0.319 175.835 175.510 0.010 0.000 1.108 128 N CA -0.273 52.784 53.050 0.011 0.000 0.956 128 N CB 1.907 40.401 38.487 0.012 0.000 1.176 128 N HN 0.573 nan 8.380 nan 0.000 0.484 129 G N -0.053 108.751 108.800 0.006 0.000 2.621 129 G HA2 0.386 4.349 3.960 0.005 0.000 0.271 129 G HA3 0.386 4.349 3.960 0.005 0.000 0.271 129 G C -0.478 174.426 174.900 0.006 0.000 1.236 129 G CA -0.376 44.727 45.100 0.005 0.000 0.958 129 G HN 0.676 nan 8.290 nan 0.000 0.512 130 E N -1.692 118.512 120.200 0.005 0.000 2.317 130 E HA 0.571 4.924 4.350 0.005 0.000 0.270 130 E C -0.928 175.675 176.600 0.004 0.000 0.885 130 E CA -0.971 55.432 56.400 0.006 0.000 0.760 130 E CB 1.860 31.564 29.700 0.007 0.000 1.227 130 E HN 0.515 nan 8.360 nan 0.000 0.434 131 T N 0.401 114.959 114.554 0.006 0.000 2.855 131 T HA 0.667 5.020 4.350 0.005 0.000 0.281 131 T C -0.369 174.336 174.700 0.008 0.000 1.007 131 T CA -0.852 61.252 62.100 0.005 0.000 1.009 131 T CB 0.593 69.464 68.868 0.006 0.000 0.983 131 T HN 0.439 nan 8.240 nan 0.000 0.455 132 L N 2.309 123.537 121.223 0.008 0.000 2.436 132 L HA 0.574 4.918 4.340 0.005 0.000 0.268 132 L C -0.185 176.694 176.870 0.014 0.000 0.974 132 L CA -1.238 53.610 54.840 0.012 0.000 0.826 132 L CB 2.263 44.327 42.059 0.008 0.000 1.291 132 L HN 0.473 nan 8.230 nan 0.000 0.406 133 K N 1.597 122.009 120.400 0.021 0.000 2.143 133 K HA 0.462 4.785 4.320 0.005 0.000 0.272 133 K C 0.209 176.830 176.600 0.035 0.000 1.001 133 K CA -0.458 55.843 56.287 0.024 0.000 0.915 133 K CB 1.862 34.376 32.500 0.024 0.000 1.047 133 K HN 0.765 nan 8.250 nan 0.000 0.458 134 G N 0.842 109.662 108.800 0.034 0.000 2.398 134 G HA2 0.164 4.127 3.960 0.005 0.000 0.246 134 G HA3 0.164 4.127 3.960 0.005 0.000 0.246 134 G C 0.341 175.282 174.900 0.068 0.000 1.289 134 G CA 0.566 45.696 45.100 0.050 0.000 0.869 134 G HN 0.940 nan 8.290 nan 0.000 0.543 135 D N -0.090 120.376 120.400 0.110 0.000 2.954 135 D HA -0.221 4.422 4.640 0.005 0.000 0.200 135 D C 1.078 177.420 176.300 0.071 0.000 1.022 135 D CA 1.379 55.431 54.000 0.087 0.000 1.003 135 D CB -1.500 39.331 40.800 0.050 0.000 1.073 135 D HN 0.503 nan 8.370 nan 0.000 0.438 136 Q N -0.721 119.131 119.800 0.087 0.000 2.515 136 Q HA 0.156 4.499 4.340 0.005 0.000 0.212 136 Q C -0.100 175.994 176.000 0.156 0.000 0.970 136 Q CA 0.717 56.573 55.803 0.089 0.000 0.941 136 Q CB 0.155 28.939 28.738 0.076 0.000 0.998 136 Q HN 0.538 nan 8.270 nan 0.000 0.518 137 F N 0.161 120.111 119.950 -0.000 0.000 2.576 137 F HA 0.319 4.849 4.527 0.005 0.000 0.313 137 F C -0.680 175.120 175.800 -0.000 0.000 1.078 137 F CA -1.344 56.656 58.000 -0.000 0.000 0.921 137 F CB 1.278 40.278 39.000 -0.000 0.000 1.232 137 F HN -0.413 nan 8.300 nan 0.000 0.459 138 K N 2.846 122.933 120.400 -0.522 0.000 2.368 138 K HA 0.421 4.744 4.320 0.005 0.000 0.282 138 K C -0.206 176.318 176.600 -0.128 0.000 1.035 138 K CA 0.008 56.107 56.287 -0.313 0.000 0.973 138 K CB 0.482 32.758 32.500 -0.373 0.000 0.957 138 K HN 0.893 nan 8.250 nan 0.000 0.474 139 G N 3.305 112.115 108.800 0.017 0.000 3.565 139 G HA2 0.345 4.308 3.960 0.005 0.000 0.346 139 G HA3 0.345 4.308 3.960 0.005 0.000 0.346 139 G C 0.115 175.055 174.900 0.067 0.000 1.363 139 G CA -0.644 44.464 45.100 0.014 0.000 1.134 139 G HN 0.754 nan 8.290 nan 0.000 0.471 140 G N 0.584 109.450 108.800 0.109 0.000 2.667 140 G HA2 0.309 4.272 3.960 0.005 0.000 0.250 140 G HA3 0.309 4.272 3.960 0.005 0.000 0.250 140 G C 1.325 176.260 174.900 0.058 0.000 1.212 140 G CA 0.486 45.648 45.100 0.103 0.000 0.874 140 G HN 0.588 nan 8.290 nan 0.000 0.561 141 S N -0.495 115.231 115.700 0.044 0.000 2.365 141 S HA -0.087 4.386 4.470 0.005 0.000 0.225 141 S C 1.179 175.794 174.600 0.024 0.000 1.039 141 S CA 1.856 60.073 58.200 0.029 0.000 1.033 141 S CB -0.502 62.712 63.200 0.022 0.000 0.887 141 S HN 1.702 nan 8.310 nan 0.000 0.447 142 S N -0.439 115.276 115.700 0.026 0.000 3.161 142 S HA -0.060 4.414 4.470 0.005 0.000 0.856 142 S C -0.273 174.336 174.600 0.015 0.000 1.047 142 S CA 0.482 58.694 58.200 0.020 0.000 1.225 142 S CB -0.474 62.736 63.200 0.016 0.000 0.864 142 S HN 0.687 nan 8.310 nan 0.000 0.251 143 K N -0.914 119.494 120.400 0.013 0.000 3.088 143 K HA -0.223 4.100 4.320 0.005 0.000 0.273 143 K C -0.150 176.456 176.600 0.009 0.000 1.111 143 K CA 1.937 58.230 56.287 0.010 0.000 0.803 143 K CB -1.748 30.756 32.500 0.008 0.000 1.226 143 K HN 0.786 nan 8.250 nan 0.000 0.485 144 K N 0.832 121.238 120.400 0.012 0.000 2.244 144 K HA 0.579 4.902 4.320 0.005 0.000 0.260 144 K C -0.824 175.781 176.600 0.009 0.000 0.951 144 K CA -0.757 55.535 56.287 0.009 0.000 0.826 144 K CB 1.152 33.658 32.500 0.010 0.000 1.108 144 K HN 0.185 nan 8.250 nan 0.000 0.433 145 I N 3.453 124.026 120.570 0.006 0.000 2.468 145 I HA 0.401 4.574 4.170 0.005 0.000 0.285 145 I C -1.131 174.987 176.117 0.001 0.000 1.039 145 I CA -0.526 60.777 61.300 0.005 0.000 1.074 145 I CB 1.687 39.690 38.000 0.005 0.000 1.228 145 I HN 0.866 nan 8.210 nan 0.000 0.436 146 A N 7.746 130.566 122.820 0.000 0.000 2.328 146 A HA 0.686 5.009 4.320 0.005 0.000 0.284 146 A C -1.169 176.414 177.584 -0.002 0.000 1.160 146 A CA -0.340 51.695 52.037 -0.003 0.000 0.818 146 A CB 0.496 19.492 19.000 -0.008 0.000 1.087 146 A HN 0.588 nan 8.150 nan 0.000 0.504 147 L N 3.083 124.304 121.223 -0.003 0.000 2.287 147 L HA 0.491 4.834 4.340 0.005 0.000 0.287 147 L C -0.248 176.621 176.870 -0.003 0.000 1.022 147 L CA -0.085 54.753 54.840 -0.002 0.000 0.814 147 L CB 1.594 43.652 42.059 -0.002 0.000 1.217 147 L HN 0.406 nan 8.230 nan 0.000 0.420 148 V N 3.094 123.007 119.914 -0.002 0.000 2.459 148 V HA 0.595 4.718 4.120 0.005 0.000 0.295 148 V C -0.056 176.037 176.094 -0.001 0.000 1.029 148 V CA -0.636 61.663 62.300 -0.002 0.000 0.874 148 V CB 1.812 33.634 31.823 -0.002 0.000 0.985 148 V HN 0.751 nan 8.190 nan 0.000 0.438 149 E N 2.651 122.850 120.200 -0.002 0.000 2.446 149 E HA 0.559 4.912 4.350 0.005 0.000 0.276 149 E C -1.107 175.492 176.600 -0.001 0.000 0.969 149 E CA -1.144 55.254 56.400 -0.002 0.000 0.800 149 E CB 2.418 32.115 29.700 -0.006 0.000 1.341 149 E HN 0.450 nan 8.360 nan 0.000 0.460 150 R N 1.653 122.153 120.500 -0.000 0.000 2.312 150 R HA 0.300 4.643 4.340 0.005 0.000 0.311 150 R C -0.541 175.758 176.300 -0.002 0.000 1.004 150 R CA -0.464 55.638 56.100 0.003 0.000 0.902 150 R CB 1.231 31.536 30.300 0.008 0.000 1.073 150 R HN 0.458 nan 8.270 nan 0.000 0.457 151 E N 4.028 124.229 120.200 0.002 0.000 2.212 151 E HA 0.375 4.728 4.350 0.005 0.000 0.268 151 E C -2.440 174.166 176.600 0.011 0.000 0.902 151 E CA -2.492 53.908 56.400 0.001 0.000 0.779 151 E CB 1.556 31.257 29.700 0.001 0.000 1.172 151 E HN 0.172 nan 8.360 nan 0.000 0.409 152 P HA 0.006 nan 4.420 nan 0.000 0.269 152 P C 0.448 177.768 177.300 0.033 0.000 1.209 152 P CA 0.205 63.325 63.100 0.032 0.000 0.776 152 P CB 0.749 32.476 31.700 0.045 0.000 0.876 153 L N 0.721 121.968 121.223 0.040 0.000 2.156 153 L HA 0.050 4.393 4.340 0.005 0.000 0.208 153 L C 1.754 178.646 176.870 0.038 0.000 1.095 153 L CA 1.839 56.700 54.840 0.036 0.000 0.770 153 L CB -0.763 41.318 42.059 0.038 0.000 0.914 153 L HN 0.740 nan 8.230 nan 0.000 0.439 154 G N -1.142 107.686 108.800 0.047 0.000 1.894 154 G HA2 -0.117 3.846 3.960 0.005 0.000 0.076 154 G HA3 -0.117 3.846 3.960 0.005 0.000 0.076 154 G C -0.916 174.013 174.900 0.048 0.000 0.954 154 G CA -0.286 44.842 45.100 0.046 0.000 1.214 154 G HN -0.184 nan 8.290 nan 0.000 0.409 155 V N 1.488 121.424 119.914 0.036 0.000 2.384 155 V HA 0.631 4.754 4.120 0.005 0.000 0.287 155 V C 0.106 176.219 176.094 0.031 0.000 1.020 155 V CA -0.619 61.696 62.300 0.025 0.000 0.850 155 V CB 1.390 33.216 31.823 0.006 0.000 0.987 155 V HN 0.646 nan 8.190 nan 0.000 0.436 156 V N 6.332 126.268 119.914 0.035 0.000 2.350 156 V HA 0.318 4.441 4.120 0.005 0.000 0.276 156 V C -0.103 176.025 176.094 0.056 0.000 1.028 156 V CA -0.495 61.835 62.300 0.050 0.000 0.860 156 V CB 1.475 33.332 31.823 0.057 0.000 0.990 156 V HN 0.676 nan 8.190 nan 0.000 0.453 157 L N 6.337 127.600 121.223 0.066 0.000 2.283 157 L HA 0.675 5.018 4.340 0.005 0.000 0.287 157 L C 0.469 177.418 176.870 0.132 0.000 1.073 157 L CA 0.093 54.986 54.840 0.088 0.000 0.822 157 L CB 0.510 42.613 42.059 0.072 0.000 1.186 157 L HN 0.688 nan 8.230 nan 0.000 0.436 158 A N 7.002 129.926 122.820 0.173 0.000 2.260 158 A HA 0.703 5.026 4.320 0.005 0.000 0.314 158 A C -0.484 177.282 177.584 0.303 0.000 1.257 158 A CA -0.407 51.760 52.037 0.217 0.000 0.871 158 A CB 0.038 19.147 19.000 0.181 0.000 1.166 158 A HN 0.718 nan 8.150 nan 0.000 0.522 159 I N 3.119 123.853 120.570 0.273 0.000 2.382 159 I HA 0.298 4.471 4.170 0.005 0.000 0.285 159 I C 0.473 176.697 176.117 0.179 0.000 1.007 159 I CA -0.161 61.308 61.300 0.282 0.000 1.142 159 I CB 1.942 40.195 38.000 0.422 0.000 1.289 159 I HN 0.693 nan 8.210 nan 0.000 0.453 160 S N 7.306 123.132 115.700 0.210 0.000 2.681 160 S HA 0.755 5.228 4.470 0.005 0.000 0.299 160 S C -2.700 171.943 174.600 0.072 0.000 1.113 160 S CA -1.355 56.930 58.200 0.143 0.000 1.013 160 S CB 2.087 65.465 63.200 0.298 0.000 1.076 160 S HN 0.326 nan 8.310 nan 0.000 0.534 161 P HA 0.361 nan 4.420 nan 0.000 0.292 161 P C 0.506 177.866 177.300 0.099 0.000 1.304 161 P CA -0.874 62.243 63.100 0.029 0.000 0.848 161 P CB 0.552 32.210 31.700 -0.070 0.000 1.260 162 F N 0.734 120.750 119.950 0.110 0.000 2.325 162 F HA -0.049 4.481 4.527 0.005 0.000 0.299 162 F C 1.547 177.414 175.800 0.110 0.000 1.090 162 F CA 1.285 59.355 58.000 0.116 0.000 1.392 162 F CB -1.505 37.568 39.000 0.122 0.000 1.053 162 F HN 0.116 nan 8.300 nan 0.000 0.521 163 N N -0.382 117.894 118.700 -0.707 0.000 2.416 163 N HA -0.124 4.619 4.740 0.005 0.000 0.177 163 N C -0.596 174.476 175.510 -0.730 0.000 1.036 163 N CA 0.793 53.432 53.050 -0.685 0.000 0.901 163 N CB -0.681 37.441 38.487 -0.609 0.000 0.976 163 N HN 0.468 nan 8.380 nan 0.000 0.444 164 Y N 0.433 120.609 120.300 -0.206 0.000 2.628 164 Y HA 0.408 4.961 4.550 0.005 0.000 0.354 164 Y C -1.949 173.918 175.900 -0.055 0.000 1.061 164 Y CA -1.799 56.208 58.100 -0.155 0.000 1.251 164 Y CB 2.138 40.499 38.460 -0.165 0.000 1.098 164 Y HN 0.021 nan 8.280 nan 0.000 0.626 165 P HA 0.035 nan 4.420 nan 0.000 0.255 165 P C 0.743 178.151 177.300 0.180 0.000 1.248 165 P CA 0.644 63.836 63.100 0.153 0.000 0.807 165 P CB 1.051 32.845 31.700 0.156 0.000 1.150 166 V N 0.084 120.070 119.914 0.119 0.000 2.735 166 V HA -0.007 4.116 4.120 0.005 0.000 0.234 166 V C 2.500 178.611 176.094 0.028 0.000 1.121 166 V CA 1.129 63.481 62.300 0.086 0.000 1.160 166 V CB -1.343 30.513 31.823 0.055 0.000 0.908 166 V HN 0.095 nan 8.190 nan 0.000 0.495 167 N N 1.289 120.001 118.700 0.020 0.000 2.049 167 N HA -0.214 4.529 4.740 0.005 0.000 0.198 167 N C 1.499 176.974 175.510 -0.060 0.000 1.030 167 N CA 2.188 55.213 53.050 -0.042 0.000 0.870 167 N CB -0.448 38.020 38.487 -0.033 0.000 1.045 167 N HN 0.468 nan 8.380 nan 0.000 0.434 168 L N -0.495 120.726 121.223 -0.003 0.000 2.591 168 L HA 0.205 4.548 4.340 0.005 0.000 0.228 168 L C 2.060 178.942 176.870 0.020 0.000 1.133 168 L CA 0.275 55.103 54.840 -0.020 0.000 0.880 168 L CB -0.190 41.864 42.059 -0.008 0.000 1.033 168 L HN 0.196 nan 8.230 nan 0.000 0.450 169 A N 0.339 123.175 122.820 0.027 0.000 1.862 169 A HA 0.090 4.414 4.320 0.005 0.000 0.211 169 A C 2.499 180.013 177.584 -0.116 0.000 1.220 169 A CA 1.067 53.069 52.037 -0.058 0.000 0.616 169 A CB -0.511 18.429 19.000 -0.100 0.000 0.878 169 A HN 0.278 nan 8.150 nan 0.000 0.453 170 A N 0.023 122.807 122.820 -0.061 0.000 2.019 170 A HA 0.180 4.503 4.320 0.005 0.000 0.219 170 A C 2.359 179.925 177.584 -0.029 0.000 1.164 170 A CA 1.898 53.924 52.037 -0.019 0.000 0.644 170 A CB -0.870 18.002 19.000 -0.213 0.000 0.805 170 A HN 1.063 nan 8.150 nan 0.000 0.449 171 A N -0.358 122.428 122.820 -0.056 0.000 2.070 171 A HA -0.131 4.192 4.320 0.005 0.000 0.220 171 A C 2.055 179.639 177.584 0.000 0.000 1.159 171 A CA 1.821 53.831 52.037 -0.046 0.000 0.656 171 A CB -0.271 18.681 19.000 -0.081 0.000 0.800 171 A HN 0.587 nan 8.150 nan 0.000 0.453 172 K N -0.847 119.560 120.400 0.011 0.000 2.202 172 K HA 0.268 4.591 4.320 0.005 0.000 0.201 172 K C 1.649 178.277 176.600 0.046 0.000 1.051 172 K CA 0.787 57.096 56.287 0.037 0.000 0.977 172 K CB -0.093 32.437 32.500 0.049 0.000 0.792 172 K HN 0.433 nan 8.250 nan 0.000 0.469 173 I N 1.197 121.789 120.570 0.038 0.000 2.233 173 I HA -0.201 3.972 4.170 0.005 0.000 0.243 173 I C 2.478 178.679 176.117 0.140 0.000 1.093 173 I CA 0.955 62.286 61.300 0.051 0.000 1.380 173 I CB -0.296 37.709 38.000 0.007 0.000 1.067 173 I HN 0.118 nan 8.210 nan 0.000 0.413 174 A N 1.633 124.595 122.820 0.236 0.000 1.883 174 A HA -0.133 4.190 4.320 0.005 0.000 0.217 174 A C -0.010 177.661 177.584 0.145 0.000 1.186 174 A CA 1.890 54.077 52.037 0.249 0.000 0.624 174 A CB -2.023 17.087 19.000 0.184 0.000 0.822 174 A HN 0.294 nan 8.150 nan 0.000 0.444 175 P HA -0.071 nan 4.420 nan 0.000 0.217 175 P C 1.635 178.992 177.300 0.096 0.000 1.151 175 P CA 1.839 64.991 63.100 0.087 0.000 0.828 175 P CB -0.194 31.548 31.700 0.070 0.000 0.788 176 A N 0.336 123.213 122.820 0.094 0.000 1.858 176 A HA -0.151 4.172 4.320 0.005 0.000 0.216 176 A C 2.414 180.085 177.584 0.145 0.000 1.190 176 A CA 1.557 53.653 52.037 0.098 0.000 0.617 176 A CB -1.660 17.383 19.000 0.072 0.000 0.827 176 A HN 0.110 nan 8.150 nan 0.000 0.443 177 L N -0.995 120.323 121.223 0.158 0.000 2.056 177 L HA -0.122 4.221 4.340 0.005 0.000 0.207 177 L C 2.535 179.673 176.870 0.446 0.000 1.078 177 L CA 1.173 56.186 54.840 0.288 0.000 0.749 177 L CB -0.494 41.636 42.059 0.120 0.000 0.901 177 L HN 0.324 nan 8.230 nan 0.000 0.433 178 V N 0.039 120.097 119.914 0.241 0.000 2.515 178 V HA -0.213 3.910 4.120 0.005 0.000 0.250 178 V C 2.469 178.591 176.094 0.047 0.000 1.058 178 V CA 2.275 64.657 62.300 0.137 0.000 1.064 178 V CB -0.301 31.565 31.823 0.072 0.000 0.675 178 V HN 0.710 nan 8.190 nan 0.000 0.461 179 T N -2.671 111.925 114.554 0.070 0.000 3.148 179 T HA 0.283 4.636 4.350 0.005 0.000 0.253 179 T C 1.391 176.100 174.700 0.016 0.000 1.134 179 T CA 0.815 62.932 62.100 0.029 0.000 1.051 179 T CB 0.303 69.198 68.868 0.046 0.000 0.959 179 T HN 1.196 nan 8.240 nan 0.000 0.525 180 G N 1.070 109.906 108.800 0.060 0.000 2.163 180 G HA2 -0.203 3.760 3.960 0.005 0.000 0.213 180 G HA3 -0.203 3.760 3.960 0.005 0.000 0.213 180 G C -0.066 174.971 174.900 0.228 0.000 0.991 180 G CA -0.379 44.721 45.100 0.001 0.000 0.653 180 G HN 0.566 nan 8.290 nan 0.000 0.518 181 N N 0.765 119.614 118.700 0.249 0.000 2.408 181 N HA 0.562 5.305 4.740 0.005 0.000 0.260 181 N C 0.605 176.239 175.510 0.205 0.000 1.242 181 N CA 0.838 54.005 53.050 0.194 0.000 0.959 181 N CB 1.034 39.592 38.487 0.117 0.000 1.201 181 N HN 0.529 nan 8.380 nan 0.000 0.511 182 T N -2.991 111.607 114.554 0.073 0.000 2.940 182 T HA 0.669 5.022 4.350 0.005 0.000 0.288 182 T C -0.305 174.371 174.700 -0.041 0.000 1.045 182 T CA -0.715 61.349 62.100 -0.059 0.000 1.018 182 T CB 1.212 70.025 68.868 -0.092 0.000 1.151 182 T HN 0.111 nan 8.240 nan 0.000 0.529 183 V N 0.952 120.817 119.914 -0.081 0.000 2.638 183 V HA 0.529 4.652 4.120 0.005 0.000 0.306 183 V C -0.609 175.475 176.094 -0.017 0.000 1.052 183 V CA -0.880 61.402 62.300 -0.030 0.000 0.885 183 V CB 2.085 33.885 31.823 -0.038 0.000 0.999 183 V HN 0.889 nan 8.190 nan 0.000 0.424 184 V N 5.297 125.224 119.914 0.023 0.000 2.350 184 V HA 0.416 4.539 4.120 0.005 0.000 0.276 184 V C -0.619 175.559 176.094 0.140 0.000 1.028 184 V CA -0.425 61.897 62.300 0.037 0.000 0.860 184 V CB 1.313 33.131 31.823 -0.007 0.000 0.990 184 V HN 0.682 nan 8.190 nan 0.000 0.453 185 F N 6.581 126.516 119.950 -0.025 0.000 2.404 185 F HA 0.694 5.224 4.527 0.005 0.000 0.354 185 F C -0.118 175.698 175.800 0.027 0.000 1.122 185 F CA -1.573 56.434 58.000 0.011 0.000 1.080 185 F CB 1.343 40.348 39.000 0.008 0.000 1.131 185 F HN 0.387 nan 8.300 nan 0.000 0.471 186 K N 9.240 129.568 120.400 -0.121 0.000 2.478 186 K HA 0.486 4.809 4.320 0.005 0.000 0.236 186 K C -3.055 173.343 176.600 -0.337 0.000 1.021 186 K CA -2.767 53.368 56.287 -0.254 0.000 1.010 186 K CB 0.633 33.117 32.500 -0.027 0.000 1.331 186 K HN 0.270 nan 8.250 nan 0.000 0.470 187 P HA 0.165 nan 4.420 nan 0.000 0.276 187 P C -0.627 176.623 177.300 -0.084 0.000 1.244 187 P CA -0.578 62.319 63.100 -0.338 0.000 0.801 187 P CB 0.903 32.348 31.700 -0.425 0.000 1.006 188 A N 2.002 124.854 122.820 0.052 0.000 2.565 188 A HA 0.063 4.386 4.320 0.005 0.000 0.237 188 A C 1.701 179.321 177.584 0.060 0.000 1.053 188 A CA 0.542 52.637 52.037 0.097 0.000 0.755 188 A CB -0.997 18.114 19.000 0.184 0.000 0.980 188 A HN 0.592 nan 8.150 nan 0.000 0.506 189 T N 1.075 115.655 114.554 0.044 0.000 2.684 189 T HA -0.133 4.220 4.350 0.005 0.000 0.267 189 T C 1.133 175.856 174.700 0.038 0.000 1.036 189 T CA 2.007 64.118 62.100 0.017 0.000 1.148 189 T CB -0.156 68.716 68.868 0.007 0.000 0.863 189 T HN 0.720 nan 8.240 nan 0.000 0.436 190 Q N 0.402 120.240 119.800 0.063 0.000 2.323 190 Q HA 0.441 4.784 4.340 0.005 0.000 0.257 190 Q C 0.767 176.862 176.000 0.159 0.000 1.022 190 Q CA 0.602 56.453 55.803 0.080 0.000 0.919 190 Q CB 0.213 28.966 28.738 0.024 0.000 1.220 190 Q HN 0.444 nan 8.270 nan 0.000 0.427 191 G N 2.142 111.030 108.800 0.146 0.000 2.211 191 G HA2 -0.247 3.717 3.960 0.005 0.000 0.201 191 G HA3 -0.247 3.717 3.960 0.005 0.000 0.201 191 G C 1.133 176.123 174.900 0.150 0.000 0.997 191 G CA 0.284 45.486 45.100 0.171 0.000 0.652 191 G HN 0.554 nan 8.290 nan 0.000 0.500 192 S N 0.271 116.028 115.700 0.095 0.000 2.370 192 S HA -0.033 4.440 4.470 0.005 0.000 0.226 192 S C 2.443 177.106 174.600 0.105 0.000 1.033 192 S CA 1.610 59.842 58.200 0.053 0.000 1.011 192 S CB -0.263 62.929 63.200 -0.014 0.000 0.852 192 S HN 0.505 nan 8.310 nan 0.000 0.457 193 L N 0.781 122.074 121.223 0.116 0.000 2.046 193 L HA -0.091 4.253 4.340 0.005 0.000 0.208 193 L C 2.554 179.625 176.870 0.335 0.000 1.077 193 L CA 0.999 55.968 54.840 0.215 0.000 0.747 193 L CB -0.711 41.499 42.059 0.253 0.000 0.896 193 L HN 0.233 nan 8.230 nan 0.000 0.432 194 S N 0.237 116.086 115.700 0.250 0.000 2.368 194 S HA -0.123 4.350 4.470 0.005 0.000 0.225 194 S C 2.051 176.809 174.600 0.263 0.000 1.030 194 S CA 1.284 59.618 58.200 0.223 0.000 0.999 194 S CB -0.577 62.727 63.200 0.172 0.000 0.844 194 S HN 0.615 nan 8.310 nan 0.000 0.459 195 G N 1.315 110.301 108.800 0.309 0.000 2.408 195 G HA2 -0.109 3.854 3.960 0.005 0.000 0.217 195 G HA3 -0.109 3.854 3.960 0.005 0.000 0.217 195 G C 1.346 176.536 174.900 0.483 0.000 1.150 195 G CA 0.509 45.890 45.100 0.467 0.000 0.776 195 G HN 0.472 nan 8.290 nan 0.000 0.542 196 I N 0.167 120.969 120.570 0.386 0.000 2.202 196 I HA -0.114 4.059 4.170 0.005 0.000 0.242 196 I C 2.771 179.120 176.117 0.386 0.000 1.091 196 I CA 0.897 62.444 61.300 0.412 0.000 1.368 196 I CB -0.044 38.164 38.000 0.347 0.000 1.058 196 I HN -0.033 nan 8.210 nan 0.000 0.410 197 K N 0.335 120.932 120.400 0.328 0.000 2.063 197 K HA -0.220 4.103 4.320 0.005 0.000 0.208 197 K C 2.084 178.813 176.600 0.216 0.000 1.048 197 K CA 1.620 58.026 56.287 0.197 0.000 0.928 197 K CB -0.474 32.102 32.500 0.126 0.000 0.713 197 K HN 0.372 nan 8.250 nan 0.000 0.442 198 M N 0.706 120.467 119.600 0.268 0.000 2.108 198 M HA -0.171 4.312 4.480 0.005 0.000 0.261 198 M C 1.890 178.435 176.300 0.408 0.000 1.066 198 M CA 1.547 57.048 55.300 0.335 0.000 1.107 198 M CB 0.012 32.795 32.600 0.304 0.000 1.356 198 M HN -0.129 nan 8.290 nan 0.000 0.406 199 V N 0.811 120.927 119.914 0.336 0.000 2.427 199 V HA -0.243 3.880 4.120 0.005 0.000 0.248 199 V C 2.041 178.309 176.094 0.290 0.000 1.051 199 V CA 1.920 64.362 62.300 0.236 0.000 1.048 199 V CB -0.869 31.133 31.823 0.298 0.000 0.666 199 V HN 0.527 nan 8.190 nan 0.000 0.456 200 E N 0.430 120.849 120.200 0.366 0.000 2.070 200 E HA -0.289 4.064 4.350 0.005 0.000 0.197 200 E C 2.367 179.079 176.600 0.186 0.000 1.004 200 E CA 1.533 58.087 56.400 0.256 0.000 0.805 200 E CB -0.364 29.332 29.700 -0.007 0.000 0.744 200 E HN 0.611 nan 8.360 nan 0.000 0.451 201 A N 1.264 124.204 122.820 0.201 0.000 1.892 201 A HA -0.212 4.111 4.320 0.005 0.000 0.218 201 A C 2.175 179.859 177.584 0.167 0.000 1.188 201 A CA 1.404 53.586 52.037 0.241 0.000 0.631 201 A CB -0.642 18.593 19.000 0.391 0.000 0.822 201 A HN 0.251 nan 8.150 nan 0.000 0.447 202 L N -0.345 120.811 121.223 -0.112 0.000 2.046 202 L HA -0.066 4.277 4.340 0.005 0.000 0.208 202 L C 2.617 179.344 176.870 -0.239 0.000 1.077 202 L CA 2.241 56.706 54.840 -0.625 0.000 0.747 202 L CB -0.988 40.292 42.059 -1.299 0.000 0.896 202 L HN 0.359 nan 8.230 nan 0.000 0.432 203 A N -0.901 121.886 122.820 -0.055 0.000 1.872 203 A HA -0.165 4.158 4.320 0.005 0.000 0.214 203 A C 1.950 179.575 177.584 0.069 0.000 1.187 203 A CA 1.574 53.633 52.037 0.037 0.000 0.614 203 A CB -0.777 18.386 19.000 0.270 0.000 0.826 203 A HN 0.499 nan 8.150 nan 0.000 0.442 204 D N 0.327 120.787 120.400 0.101 0.000 2.218 204 D HA -0.041 4.602 4.640 0.005 0.000 0.204 204 D C 1.955 178.298 176.300 0.072 0.000 0.976 204 D CA 1.317 55.368 54.000 0.085 0.000 0.853 204 D CB -0.324 40.524 40.800 0.080 0.000 0.939 204 D HN 0.447 nan 8.370 nan 0.000 0.481 205 A N -0.191 122.671 122.820 0.069 0.000 2.168 205 A HA 0.319 4.642 4.320 0.005 0.000 0.215 205 A C 1.714 179.330 177.584 0.053 0.000 1.152 205 A CA 1.305 53.392 52.037 0.084 0.000 0.716 205 A CB -0.131 18.948 19.000 0.130 0.000 0.794 205 A HN 0.285 nan 8.150 nan 0.000 0.465 206 G N -2.093 106.718 108.800 0.018 0.000 2.145 206 G HA2 0.223 4.186 3.960 0.005 0.000 0.176 206 G HA3 0.223 4.186 3.960 0.005 0.000 0.176 206 G C 0.240 175.119 174.900 -0.036 0.000 1.013 206 G CA 0.017 45.123 45.100 0.010 0.000 0.689 206 G HN 1.495 nan 8.290 nan 0.000 0.506 207 A N 0.525 123.278 122.820 -0.112 0.000 2.546 207 A HA 0.576 4.899 4.320 0.005 0.000 0.243 207 A C -0.876 176.592 177.584 -0.194 0.000 1.063 207 A CA 0.024 51.925 52.037 -0.227 0.000 0.757 207 A CB -0.010 18.786 19.000 -0.339 0.000 0.991 207 A HN 0.270 nan 8.150 nan 0.000 0.503 208 P HA 0.193 nan 4.420 nan 0.000 0.272 208 P C -0.420 176.769 177.300 -0.185 0.000 1.240 208 P CA -0.438 62.581 63.100 -0.135 0.000 0.791 208 P CB 0.360 32.027 31.700 -0.054 0.000 0.978 209 E N 0.583 120.708 120.200 -0.126 0.000 2.417 209 E HA 0.272 4.625 4.350 0.005 0.000 0.261 209 E C 0.779 177.285 176.600 -0.156 0.000 1.000 209 E CA 0.003 56.320 56.400 -0.139 0.000 0.919 209 E CB -0.717 28.927 29.700 -0.094 0.000 0.955 209 E HN 0.753 nan 8.360 nan 0.000 0.455 210 G N 3.489 112.174 108.800 -0.192 0.000 2.195 210 G HA2 -0.362 3.601 3.960 0.005 0.000 0.246 210 G HA3 -0.362 3.601 3.960 0.005 0.000 0.246 210 G C 0.691 175.459 174.900 -0.220 0.000 0.984 210 G CA 0.309 45.302 45.100 -0.178 0.000 0.633 210 G HN 0.812 nan 8.290 nan 0.000 0.525 211 I N -1.617 118.759 120.570 -0.323 0.000 2.617 211 I HA 0.530 4.703 4.170 0.005 0.000 0.256 211 I C 0.923 176.812 176.117 -0.380 0.000 1.167 211 I CA 0.565 61.592 61.300 -0.455 0.000 1.469 211 I CB 0.171 37.630 38.000 -0.902 0.000 1.098 211 I HN 0.209 nan 8.210 nan 0.000 0.436 212 I N 1.964 122.334 120.570 -0.334 0.000 2.447 212 I HA 0.416 4.589 4.170 0.005 0.000 0.287 212 I C -1.235 174.759 176.117 -0.205 0.000 1.023 212 I CA -0.588 60.559 61.300 -0.256 0.000 1.083 212 I CB 1.465 39.276 38.000 -0.315 0.000 1.245 212 I HN 0.111 nan 8.210 nan 0.000 0.434 213 Q N 6.344 126.068 119.800 -0.126 0.000 2.342 213 Q HA 0.601 4.944 4.340 0.005 0.000 0.267 213 Q C -1.229 174.750 176.000 -0.034 0.000 1.038 213 Q CA -0.898 54.834 55.803 -0.118 0.000 0.832 213 Q CB 2.776 31.449 28.738 -0.109 0.000 1.323 213 Q HN 0.467 nan 8.270 nan 0.000 0.448 214 V N 2.242 122.120 119.914 -0.060 0.000 2.370 214 V HA 0.428 4.551 4.120 0.005 0.000 0.283 214 V C 0.060 176.107 176.094 -0.079 0.000 1.023 214 V CA -0.817 61.468 62.300 -0.024 0.000 0.857 214 V CB 1.511 33.349 31.823 0.025 0.000 0.985 214 V HN 0.589 nan 8.190 nan 0.000 0.443 215 V N 2.281 122.128 119.914 -0.111 0.000 2.459 215 V HA 0.991 5.114 4.120 0.005 0.000 0.295 215 V C -0.086 175.936 176.094 -0.120 0.000 1.029 215 V CA -0.232 62.013 62.300 -0.093 0.000 0.874 215 V CB 1.478 33.265 31.823 -0.060 0.000 0.985 215 V HN 0.942 nan 8.190 nan 0.000 0.438 216 T N 0.701 115.205 114.554 -0.085 0.000 2.896 216 T HA 1.013 5.366 4.350 0.005 0.000 0.297 216 T C 0.088 174.758 174.700 -0.050 0.000 1.108 216 T CA -0.222 61.831 62.100 -0.079 0.000 1.004 216 T CB 1.582 70.404 68.868 -0.077 0.000 1.159 216 T HN 2.322 nan 8.240 nan 0.000 0.499 217 G N 0.760 109.535 108.800 -0.041 0.000 2.369 217 G HA2 0.289 4.252 3.960 0.005 0.000 0.295 217 G HA3 0.289 4.252 3.960 0.005 0.000 0.295 217 G C -1.683 173.205 174.900 -0.019 0.000 1.298 217 G CA -1.277 43.805 45.100 -0.029 0.000 0.940 217 G HN 0.768 nan 8.290 nan 0.000 0.536 218 R N 0.474 120.964 120.500 -0.017 0.000 2.340 218 R HA 0.394 4.737 4.340 0.005 0.000 0.300 218 R C 1.797 178.095 176.300 -0.003 0.000 1.069 218 R CA 0.295 56.388 56.100 -0.010 0.000 0.984 218 R CB 1.090 31.382 30.300 -0.013 0.000 1.003 218 R HN 0.935 nan 8.270 nan 0.000 0.459 219 G N 1.621 110.423 108.800 0.003 0.000 2.556 219 G HA2 -0.391 3.572 3.960 0.005 0.000 0.220 219 G HA3 -0.391 3.572 3.960 0.005 0.000 0.220 219 G C 1.431 176.336 174.900 0.007 0.000 1.156 219 G CA 1.458 46.563 45.100 0.009 0.000 0.766 219 G HN 0.671 nan 8.290 nan 0.000 0.583 220 S N -0.180 115.520 115.700 0.001 0.000 2.440 220 S HA -0.069 4.405 4.470 0.005 0.000 0.238 220 S C 2.160 176.758 174.600 -0.003 0.000 1.010 220 S CA 1.756 59.955 58.200 -0.001 0.000 0.972 220 S CB -0.190 63.007 63.200 -0.005 0.000 0.774 220 S HN 0.188 nan 8.310 nan 0.000 0.501 221 V N 1.607 121.516 119.914 -0.008 0.000 2.436 221 V HA 0.214 4.337 4.120 0.005 0.000 0.240 221 V C 2.241 178.329 176.094 -0.011 0.000 1.040 221 V CA 1.249 63.536 62.300 -0.022 0.000 1.052 221 V CB -0.465 31.339 31.823 -0.032 0.000 0.707 221 V HN 0.751 nan 8.190 nan 0.000 0.469 222 I N -1.977 118.602 120.570 0.015 0.000 4.181 222 I HA 0.492 4.665 4.170 0.005 0.000 0.331 222 I C 2.000 178.169 176.117 0.086 0.000 1.312 222 I CA 0.847 62.180 61.300 0.056 0.000 1.146 222 I CB -0.242 37.776 38.000 0.030 0.000 1.074 222 I HN 0.084 nan 8.210 nan 0.000 0.402 223 G N 1.821 110.653 108.800 0.052 0.000 2.524 223 G HA2 -0.220 3.743 3.960 0.005 0.000 0.215 223 G HA3 -0.220 3.743 3.960 0.005 0.000 0.215 223 G C 1.103 176.027 174.900 0.039 0.000 1.239 223 G CA 1.453 46.575 45.100 0.037 0.000 0.798 223 G HN 0.332 nan 8.290 nan 0.000 0.557 224 D N -0.502 119.922 120.400 0.041 0.000 2.178 224 D HA -0.065 4.578 4.640 0.005 0.000 0.201 224 D C 2.024 178.363 176.300 0.064 0.000 0.980 224 D CA 0.984 55.004 54.000 0.033 0.000 0.842 224 D CB -0.370 40.446 40.800 0.028 0.000 0.948 224 D HN 0.464 nan 8.370 nan 0.000 0.472 225 H N 0.077 119.158 119.070 0.018 0.000 2.353 225 H HA 0.015 4.574 4.556 0.005 0.000 0.300 225 H C 2.094 177.470 175.328 0.080 0.000 1.090 225 H CA 1.147 57.223 56.048 0.046 0.000 1.327 225 H CB -0.205 29.585 29.762 0.046 0.000 1.383 225 H HN 0.060 nan 8.280 nan 0.000 0.508 226 L N -1.035 120.233 121.223 0.076 0.000 2.056 226 L HA -0.129 4.214 4.340 0.005 0.000 0.207 226 L C 2.412 179.287 176.870 0.008 0.000 1.078 226 L CA 0.869 55.725 54.840 0.026 0.000 0.749 226 L CB -0.211 41.872 42.059 0.040 0.000 0.901 226 L HN 0.184 nan 8.230 nan 0.000 0.433 227 V N -0.493 119.423 119.914 0.003 0.000 2.667 227 V HA -0.197 3.926 4.120 0.005 0.000 0.252 227 V C 1.958 178.042 176.094 -0.017 0.000 1.065 227 V CA 1.498 63.792 62.300 -0.009 0.000 1.083 227 V CB -0.256 31.549 31.823 -0.031 0.000 0.692 227 V HN 0.443 nan 8.190 nan 0.000 0.468 228 E N -1.886 118.293 120.200 -0.035 0.000 2.472 228 E HA 0.023 4.376 4.350 0.005 0.000 0.196 228 E C 0.747 177.296 176.600 -0.086 0.000 1.033 228 E CA -0.250 56.115 56.400 -0.058 0.000 0.886 228 E CB 0.122 29.783 29.700 -0.066 0.000 0.944 228 E HN 0.554 nan 8.360 nan 0.000 0.492 229 H N 2.421 121.383 119.070 -0.179 0.000 3.004 229 H HA -0.005 4.554 4.556 0.005 0.000 0.316 229 H C -1.469 173.798 175.328 -0.101 0.000 1.014 229 H CA -1.188 54.744 56.048 -0.193 0.000 1.454 229 H CB 1.178 30.812 29.762 -0.213 0.000 1.472 229 H HN 0.015 nan 8.280 nan 0.000 0.571 230 P HA -0.090 nan 4.420 nan 0.000 0.223 230 P C 1.188 178.537 177.300 0.082 0.000 1.144 230 P CA 1.152 64.218 63.100 -0.058 0.000 0.783 230 P CB 0.048 31.665 31.700 -0.138 0.000 0.771 231 G N -0.708 108.277 108.800 0.309 0.000 2.920 231 G HA2 0.056 4.019 3.960 0.005 0.000 0.208 231 G HA3 0.056 4.019 3.960 0.005 0.000 0.208 231 G C 0.604 175.564 174.900 0.099 0.000 1.159 231 G CA -0.046 45.176 45.100 0.203 0.000 0.784 231 G HN 0.135 nan 8.290 nan 0.000 0.535 232 I N 1.633 122.262 120.570 0.098 0.000 2.342 232 I HA 0.256 4.429 4.170 0.005 0.000 0.291 232 I C -0.012 176.130 176.117 0.043 0.000 1.010 232 I CA -0.881 60.448 61.300 0.048 0.000 1.308 232 I CB 1.501 39.526 38.000 0.042 0.000 1.400 232 I HN 0.017 nan 8.210 nan 0.000 0.488 233 D N 5.446 125.868 120.400 0.037 0.000 2.423 233 D HA 0.153 4.796 4.640 0.005 0.000 0.208 233 D C 0.453 176.774 176.300 0.035 0.000 1.068 233 D CA 0.577 54.597 54.000 0.034 0.000 0.860 233 D CB 1.455 42.275 40.800 0.033 0.000 0.992 233 D HN 0.352 nan 8.370 nan 0.000 0.504 234 M N 1.032 120.657 119.600 0.042 0.000 2.471 234 M HA 0.333 4.816 4.480 0.005 0.000 0.284 234 M C -2.266 174.070 176.300 0.059 0.000 1.203 234 M CA -0.400 54.929 55.300 0.048 0.000 0.915 234 M CB 2.722 35.353 32.600 0.051 0.000 1.734 234 M HN -0.272 nan 8.290 nan 0.000 0.485 235 I N 2.431 123.042 120.570 0.067 0.000 2.465 235 I HA 0.441 4.614 4.170 0.005 0.000 0.291 235 I C -0.494 175.695 176.117 0.121 0.000 1.014 235 I CA -0.510 60.845 61.300 0.092 0.000 1.093 235 I CB 2.425 40.473 38.000 0.081 0.000 1.267 235 I HN 0.570 nan 8.210 nan 0.000 0.431 236 T N 6.048 120.691 114.554 0.149 0.000 2.809 236 T HA 0.479 4.832 4.350 0.005 0.000 0.284 236 T C -1.016 173.830 174.700 0.243 0.000 0.992 236 T CA -0.365 61.837 62.100 0.170 0.000 0.957 236 T CB 0.816 69.761 68.868 0.127 0.000 0.942 236 T HN 0.307 nan 8.240 nan 0.000 0.439 237 F N 2.585 122.587 119.950 0.086 0.000 2.529 237 F HA 0.627 5.157 4.527 0.005 0.000 0.320 237 F C -0.456 175.405 175.800 0.102 0.000 1.118 237 F CA -0.390 57.664 58.000 0.091 0.000 0.915 237 F CB 1.767 40.811 39.000 0.074 0.000 1.161 237 F HN 0.382 nan 8.300 nan 0.000 0.445 238 T N 4.501 118.668 114.554 -0.645 0.000 2.807 238 T HA 0.826 5.179 4.350 0.005 0.000 0.279 238 T C -0.140 173.913 174.700 -1.078 0.000 0.993 238 T CA -0.144 61.601 62.100 -0.591 0.000 0.970 238 T CB 1.288 70.029 68.868 -0.210 0.000 0.950 238 T HN 1.123 nan 8.240 nan 0.000 0.441 239 G N 1.377 109.765 108.800 -0.687 0.000 2.367 239 G HA2 0.482 4.446 3.960 0.005 0.000 0.272 239 G HA3 0.482 4.446 3.960 0.005 0.000 0.272 239 G C -0.268 174.644 174.900 0.020 0.000 1.271 239 G CA -0.341 44.538 45.100 -0.368 0.000 0.893 239 G HN 0.858 nan 8.290 nan 0.000 0.485 240 G N -0.543 108.338 108.800 0.135 0.000 2.441 240 G HA2 0.452 4.415 3.960 0.005 0.000 0.243 240 G HA3 0.452 4.415 3.960 0.005 0.000 0.243 240 G C 1.163 176.197 174.900 0.222 0.000 1.281 240 G CA 1.037 46.199 45.100 0.103 0.000 0.854 240 G HN 0.866 nan 8.290 nan 0.000 0.560 241 T N 1.955 116.622 114.554 0.188 0.000 2.665 241 T HA -0.197 4.156 4.350 0.005 0.000 0.268 241 T C 2.693 177.462 174.700 0.114 0.000 1.035 241 T CA 2.095 64.312 62.100 0.196 0.000 1.151 241 T CB -0.346 68.671 68.868 0.249 0.000 0.862 241 T HN 0.528 nan 8.240 nan 0.000 0.438 242 T N 1.789 116.390 114.554 0.079 0.000 2.684 242 T HA -0.135 4.218 4.350 0.005 0.000 0.267 242 T C 2.279 176.976 174.700 -0.005 0.000 1.036 242 T CA 1.834 63.950 62.100 0.028 0.000 1.148 242 T CB -0.713 68.165 68.868 0.016 0.000 0.863 242 T HN 0.473 nan 8.240 nan 0.000 0.436 243 T N 0.927 115.484 114.554 0.005 0.000 2.746 243 T HA -0.044 4.309 4.350 0.005 0.000 0.267 243 T C 2.190 176.713 174.700 -0.294 0.000 1.039 243 T CA 1.252 63.288 62.100 -0.107 0.000 1.142 243 T CB -0.880 67.977 68.868 -0.018 0.000 0.866 243 T HN 0.503 nan 8.240 nan 0.000 0.444 244 G N 1.504 110.205 108.800 -0.165 0.000 2.446 244 G HA2 -0.214 3.749 3.960 0.005 0.000 0.217 244 G HA3 -0.214 3.749 3.960 0.005 0.000 0.217 244 G C 1.459 176.291 174.900 -0.114 0.000 1.168 244 G CA 0.712 45.709 45.100 -0.171 0.000 0.771 244 G HN 0.536 nan 8.290 nan 0.000 0.551 245 E N -0.177 119.994 120.200 -0.047 0.000 2.110 245 E HA -0.116 4.237 4.350 0.005 0.000 0.193 245 E C 2.495 179.057 176.600 -0.064 0.000 0.988 245 E CA 0.609 56.987 56.400 -0.038 0.000 0.804 245 E CB -0.114 29.574 29.700 -0.020 0.000 0.745 245 E HN 0.400 nan 8.360 nan 0.000 0.458 246 R N 0.772 121.218 120.500 -0.090 0.000 2.075 246 R HA -0.138 4.205 4.340 0.005 0.000 0.232 246 R C 2.182 178.415 176.300 -0.112 0.000 1.126 246 R CA 0.968 57.013 56.100 -0.091 0.000 0.963 246 R CB -0.017 30.227 30.300 -0.092 0.000 0.858 246 R HN 0.076 nan 8.270 nan 0.000 0.435 247 I N 0.748 121.210 120.570 -0.181 0.000 2.163 247 I HA -0.248 3.925 4.170 0.005 0.000 0.243 247 I C 2.500 178.558 176.117 -0.098 0.000 1.085 247 I CA 1.402 62.596 61.300 -0.178 0.000 1.347 247 I CB -1.494 36.322 38.000 -0.307 0.000 1.044 247 I HN 0.230 nan 8.210 nan 0.000 0.408 248 S N 0.068 115.719 115.700 -0.081 0.000 2.356 248 S HA -0.257 4.216 4.470 0.005 0.000 0.223 248 S C 2.086 176.666 174.600 -0.034 0.000 1.032 248 S CA 1.845 60.022 58.200 -0.040 0.000 1.005 248 S CB -0.234 62.952 63.200 -0.023 0.000 0.867 248 S HN 0.538 nan 8.310 nan 0.000 0.449 249 E N 0.165 120.342 120.200 -0.039 0.000 2.077 249 E HA -0.192 4.161 4.350 0.005 0.000 0.193 249 E C 1.947 178.528 176.600 -0.031 0.000 0.989 249 E CA 1.246 57.626 56.400 -0.032 0.000 0.800 249 E CB -0.081 29.599 29.700 -0.033 0.000 0.746 249 E HN 0.504 nan 8.360 nan 0.000 0.452 250 K N 0.124 120.501 120.400 -0.039 0.000 2.243 250 K HA 0.122 4.445 4.320 0.005 0.000 0.201 250 K C 0.707 177.289 176.600 -0.031 0.000 1.051 250 K CA 0.426 56.692 56.287 -0.035 0.000 0.970 250 K CB 0.246 32.722 32.500 -0.039 0.000 0.755 250 K HN 0.076 nan 8.250 nan 0.000 0.465 251 A N 2.491 125.292 122.820 -0.031 0.000 2.332 251 A HA 0.275 4.598 4.320 0.005 0.000 0.258 251 A C -0.202 177.372 177.584 -0.017 0.000 1.087 251 A CA -0.151 51.873 52.037 -0.022 0.000 0.802 251 A CB 0.251 19.241 19.000 -0.015 0.000 1.042 251 A HN 0.253 nan 8.150 nan 0.000 0.489 252 K N 0.292 120.683 120.400 -0.014 0.000 2.551 252 K HA 0.547 4.870 4.320 0.005 0.000 0.269 252 K C -0.346 176.249 176.600 -0.007 0.000 0.949 252 K CA -0.852 55.427 56.287 -0.012 0.000 0.849 252 K CB 1.089 33.579 32.500 -0.017 0.000 1.411 252 K HN 0.488 nan 8.250 nan 0.000 0.432 253 M N 0.090 119.687 119.600 -0.005 0.000 2.872 253 M HA -0.201 4.282 4.480 0.005 0.000 0.183 253 M C -0.365 175.937 176.300 0.004 0.000 0.631 253 M CA 1.285 56.584 55.300 -0.002 0.000 0.672 253 M CB -2.563 30.034 32.600 -0.005 0.000 2.432 253 M HN 0.818 nan 8.290 nan 0.000 0.376 254 I N -2.753 117.821 120.570 0.007 0.000 2.828 254 I HA 0.803 4.976 4.170 0.005 0.000 0.302 254 I C -2.393 173.735 176.117 0.018 0.000 1.101 254 I CA -2.300 59.008 61.300 0.014 0.000 1.031 254 I CB 1.906 39.917 38.000 0.019 0.000 1.231 254 I HN -0.232 nan 8.210 nan 0.000 0.427 255 P HA 0.245 nan 4.420 nan 0.000 0.271 255 P C -0.993 176.330 177.300 0.038 0.000 1.216 255 P CA -0.251 62.867 63.100 0.029 0.000 0.776 255 P CB 1.177 32.896 31.700 0.033 0.000 0.881 256 V N 4.530 124.468 119.914 0.040 0.000 2.531 256 V HA 0.415 4.539 4.120 0.005 0.000 0.301 256 V C -0.816 175.319 176.094 0.069 0.000 1.034 256 V CA -0.708 61.625 62.300 0.054 0.000 0.865 256 V CB 2.018 33.865 31.823 0.040 0.000 0.995 256 V HN 0.202 nan 8.190 nan 0.000 0.424 257 V N 7.867 127.839 119.914 0.096 0.000 2.513 257 V HA 0.621 4.744 4.120 0.005 0.000 0.299 257 V C -0.419 175.772 176.094 0.163 0.000 1.035 257 V CA -0.524 61.842 62.300 0.110 0.000 0.889 257 V CB 1.648 33.533 31.823 0.104 0.000 0.988 257 V HN 0.762 nan 8.190 nan 0.000 0.440 258 L N 4.268 125.586 121.223 0.160 0.000 2.470 258 L HA 0.590 4.933 4.340 0.005 0.000 0.268 258 L C -0.785 176.187 176.870 0.170 0.000 0.964 258 L CA -0.647 54.328 54.840 0.226 0.000 0.839 258 L CB 2.307 44.506 42.059 0.233 0.000 1.276 258 L HN 0.801 nan 8.230 nan 0.000 0.403 259 E N 4.502 124.803 120.200 0.169 0.000 2.114 259 E HA 0.704 5.057 4.350 0.005 0.000 0.266 259 E C -1.410 175.277 176.600 0.145 0.000 0.896 259 E CA -0.413 56.082 56.400 0.158 0.000 0.750 259 E CB 1.285 31.136 29.700 0.253 0.000 1.121 259 E HN 0.518 nan 8.360 nan 0.000 0.413 260 L N 2.218 123.541 121.223 0.166 0.000 2.670 260 L HA 0.732 5.075 4.340 0.005 0.000 0.251 260 L C 1.092 178.064 176.870 0.171 0.000 1.548 260 L CA -1.316 53.637 54.840 0.189 0.000 1.643 260 L CB 0.325 42.528 42.059 0.239 0.000 2.174 260 L HN 0.673 nan 8.230 nan 0.000 0.585 261 G N -1.234 107.680 108.800 0.191 0.000 2.572 261 G HA2 0.501 4.464 3.960 0.005 0.000 0.261 261 G HA3 0.501 4.464 3.960 0.005 0.000 0.261 261 G C -0.533 174.329 174.900 -0.064 0.000 1.197 261 G CA 0.143 45.274 45.100 0.051 0.000 0.870 261 G HN 0.706 nan 8.290 nan 0.000 0.548 262 G N -1.005 107.648 108.800 -0.245 0.000 2.605 262 G HA2 0.531 4.494 3.960 0.005 0.000 0.296 262 G HA3 0.531 4.494 3.960 0.005 0.000 0.296 262 G C -0.952 173.711 174.900 -0.396 0.000 1.304 262 G CA -0.753 44.204 45.100 -0.238 0.000 0.941 262 G HN 0.569 nan 8.290 nan 0.000 0.475 263 K N 1.030 121.343 120.400 -0.145 0.000 3.029 263 K HA 0.278 4.601 4.320 0.005 0.000 0.169 263 K C -0.874 175.765 176.600 0.065 0.000 1.090 263 K CA -0.498 55.775 56.287 -0.024 0.000 0.883 263 K CB 0.053 32.627 32.500 0.124 0.000 1.080 263 K HN 0.349 nan 8.250 nan 0.000 0.613 264 D N 3.745 124.169 120.400 0.040 0.000 2.434 264 D HA 0.044 4.687 4.640 0.005 0.000 0.252 264 D C -2.257 174.075 176.300 0.054 0.000 1.185 264 D CA -1.006 53.036 54.000 0.071 0.000 0.886 264 D CB 0.812 41.650 40.800 0.064 0.000 1.148 264 D HN 0.296 nan 8.370 nan 0.000 0.483 265 P HA 0.367 nan 4.420 nan 0.000 0.287 265 P C -1.444 175.928 177.300 0.119 0.000 1.270 265 P CA -0.826 62.333 63.100 0.097 0.000 0.844 265 P CB 1.402 33.300 31.700 0.330 0.000 1.068 266 A N 3.705 126.580 122.820 0.092 0.000 2.285 266 A HA 0.582 4.905 4.320 0.005 0.000 0.310 266 A C -0.028 177.704 177.584 0.247 0.000 1.266 266 A CA -0.837 51.326 52.037 0.210 0.000 0.832 266 A CB -0.035 19.138 19.000 0.287 0.000 1.163 266 A HN 0.432 nan 8.150 nan 0.000 0.499 267 I N 3.076 123.811 120.570 0.275 0.000 2.325 267 I HA 0.318 4.491 4.170 0.005 0.000 0.291 267 I C -0.638 175.649 176.117 0.284 0.000 1.019 267 I CA -0.515 60.946 61.300 0.268 0.000 1.302 267 I CB 1.409 39.525 38.000 0.192 0.000 1.401 267 I HN 0.283 nan 8.210 nan 0.000 0.485 268 V N 7.441 127.497 119.914 0.236 0.000 2.376 268 V HA 0.342 4.465 4.120 0.005 0.000 0.287 268 V C 0.043 176.217 176.094 0.132 0.000 1.015 268 V CA -0.592 61.832 62.300 0.207 0.000 0.834 268 V CB 1.304 33.192 31.823 0.108 0.000 1.001 268 V HN 0.419 nan 8.190 nan 0.000 0.428 269 L N 2.612 123.910 121.223 0.124 0.000 2.448 269 L HA 0.498 4.841 4.340 0.005 0.000 0.258 269 L C 1.632 178.539 176.870 0.062 0.000 1.104 269 L CA 0.262 55.151 54.840 0.081 0.000 0.800 269 L CB 0.579 42.679 42.059 0.069 0.000 1.241 269 L HN 0.497 nan 8.230 nan 0.000 0.472 270 D N 0.152 120.579 120.400 0.044 0.000 2.172 270 D HA -0.190 4.453 4.640 0.005 0.000 0.196 270 D C 0.946 177.266 176.300 0.032 0.000 0.999 270 D CA 1.702 55.721 54.000 0.033 0.000 0.856 270 D CB 0.027 40.842 40.800 0.025 0.000 0.934 270 D HN 0.666 nan 8.370 nan 0.000 0.453 271 D N -0.581 119.842 120.400 0.039 0.000 2.349 271 D HA 0.171 4.814 4.640 0.005 0.000 0.214 271 D C 0.435 176.765 176.300 0.050 0.000 1.063 271 D CA -0.197 53.826 54.000 0.037 0.000 0.847 271 D CB -0.465 40.354 40.800 0.033 0.000 0.933 271 D HN 0.027 nan 8.370 nan 0.000 0.513 272 A N 0.726 123.585 122.820 0.065 0.000 2.483 272 A HA 0.107 4.430 4.320 0.005 0.000 0.238 272 A C 0.337 177.955 177.584 0.057 0.000 1.070 272 A CA -0.220 51.870 52.037 0.090 0.000 0.770 272 A CB 0.171 19.245 19.000 0.122 0.000 1.008 272 A HN 0.118 nan 8.150 nan 0.000 0.497 273 D N 2.102 122.543 120.400 0.067 0.000 2.348 273 D HA 0.149 4.792 4.640 0.005 0.000 0.259 273 D C 0.891 177.189 176.300 -0.004 0.000 1.296 273 D CA 0.107 54.129 54.000 0.037 0.000 0.931 273 D CB 0.297 41.129 40.800 0.053 0.000 1.067 273 D HN 0.464 nan 8.370 nan 0.000 0.503 274 L N 3.413 124.623 121.223 -0.023 0.000 2.313 274 L HA -0.085 4.258 4.340 0.005 0.000 0.214 274 L C 2.251 179.074 176.870 -0.079 0.000 1.119 274 L CA 0.635 55.439 54.840 -0.060 0.000 0.809 274 L CB -0.069 41.966 42.059 -0.040 0.000 0.933 274 L HN 0.221 nan 8.230 nan 0.000 0.449 275 K N 0.328 120.698 120.400 -0.050 0.000 2.007 275 K HA -0.131 4.192 4.320 0.005 0.000 0.206 275 K C 2.007 178.574 176.600 -0.055 0.000 1.047 275 K CA 1.027 57.286 56.287 -0.046 0.000 0.937 275 K CB -0.302 32.184 32.500 -0.024 0.000 0.718 275 K HN 0.047 nan 8.250 nan 0.000 0.438 276 L N 1.392 122.594 121.223 -0.034 0.000 2.046 276 L HA -0.179 4.164 4.340 0.005 0.000 0.208 276 L C 1.928 178.735 176.870 -0.105 0.000 1.077 276 L CA 1.908 56.739 54.840 -0.015 0.000 0.747 276 L CB -0.724 41.366 42.059 0.051 0.000 0.896 276 L HN 0.126 nan 8.230 nan 0.000 0.432 277 T N 0.170 114.580 114.554 -0.241 0.000 2.643 277 T HA -0.187 4.166 4.350 0.005 0.000 0.264 277 T C 1.960 176.363 174.700 -0.494 0.000 1.045 277 T CA 1.617 63.302 62.100 -0.692 0.000 1.155 277 T CB -0.748 67.698 68.868 -0.703 0.000 0.863 277 T HN 0.569 nan 8.240 nan 0.000 0.420 278 A N 1.275 123.937 122.820 -0.265 0.000 1.892 278 A HA -0.183 4.140 4.320 0.005 0.000 0.218 278 A C 2.583 180.101 177.584 -0.110 0.000 1.188 278 A CA 2.541 54.481 52.037 -0.162 0.000 0.631 278 A CB -1.278 17.662 19.000 -0.100 0.000 0.822 278 A HN 0.491 nan 8.150 nan 0.000 0.447 279 S N -1.336 114.310 115.700 -0.089 0.000 2.353 279 S HA -0.233 4.240 4.470 0.005 0.000 0.222 279 S C 2.193 176.784 174.600 -0.015 0.000 1.035 279 S CA 1.731 59.908 58.200 -0.037 0.000 1.025 279 S CB -0.428 62.758 63.200 -0.023 0.000 0.902 279 S HN 0.569 nan 8.310 nan 0.000 0.440 280 Q N 0.714 120.499 119.800 -0.026 0.000 2.084 280 Q HA -0.033 4.310 4.340 0.005 0.000 0.202 280 Q C 2.350 178.381 176.000 0.052 0.000 0.978 280 Q CA 1.291 57.129 55.803 0.059 0.000 0.844 280 Q CB -0.571 28.299 28.738 0.220 0.000 0.898 280 Q HN 0.586 nan 8.270 nan 0.000 0.426 281 I N 0.002 120.546 120.570 -0.043 0.000 2.142 281 I HA -0.216 3.958 4.170 0.005 0.000 0.240 281 I C 2.391 178.537 176.117 0.049 0.000 1.078 281 I CA 1.012 62.304 61.300 -0.013 0.000 1.343 281 I CB -0.920 37.025 38.000 -0.092 0.000 1.046 281 I HN 0.003 nan 8.210 nan 0.000 0.405 282 V N 0.284 120.250 119.914 0.087 0.000 2.307 282 V HA -0.252 3.871 4.120 0.005 0.000 0.245 282 V C 2.736 178.964 176.094 0.223 0.000 1.045 282 V CA 2.026 64.468 62.300 0.238 0.000 1.024 282 V CB -0.635 31.271 31.823 0.138 0.000 0.651 282 V HN 0.423 nan 8.190 nan 0.000 0.449 283 S N 0.413 116.179 115.700 0.109 0.000 2.374 283 S HA -0.178 4.295 4.470 0.005 0.000 0.227 283 S C 2.012 176.656 174.600 0.073 0.000 1.037 283 S CA 2.020 60.271 58.200 0.085 0.000 1.024 283 S CB -0.593 62.637 63.200 0.050 0.000 0.861 283 S HN 0.661 nan 8.310 nan 0.000 0.456 284 G N 0.083 108.912 108.800 0.049 0.000 2.408 284 G HA2 0.158 4.121 3.960 0.005 0.000 0.215 284 G HA3 0.158 4.121 3.960 0.005 0.000 0.215 284 G C 1.629 176.504 174.900 -0.041 0.000 1.156 284 G CA 0.738 45.844 45.100 0.009 0.000 0.793 284 G HN 0.660 nan 8.290 nan 0.000 0.535 285 A N 0.021 122.784 122.820 -0.096 0.000 1.929 285 A HA 0.306 4.629 4.320 0.005 0.000 0.216 285 A C 1.811 179.129 177.584 -0.445 0.000 1.176 285 A CA 0.909 52.740 52.037 -0.344 0.000 0.628 285 A CB -0.273 18.379 19.000 -0.581 0.000 0.816 285 A HN 0.304 nan 8.150 nan 0.000 0.444 286 F N -0.521 119.409 119.950 -0.033 0.000 2.682 286 F HA 0.297 4.827 4.527 0.005 0.000 0.308 286 F C 1.236 177.021 175.800 -0.025 0.000 1.093 286 F CA -0.180 57.797 58.000 -0.039 0.000 1.244 286 F CB 0.109 39.087 39.000 -0.036 0.000 1.052 286 F HN -0.002 nan 8.300 nan 0.000 0.573 287 S N 0.661 116.433 115.700 0.121 0.000 2.575 287 S HA -0.139 4.334 4.470 0.005 0.000 0.295 287 S C 0.227 174.905 174.600 0.131 0.000 1.267 287 S CA 0.077 58.342 58.200 0.108 0.000 1.074 287 S CB -0.543 62.704 63.200 0.079 0.000 0.829 287 S HN 0.433 nan 8.310 nan 0.000 0.497 288 Y N 3.679 123.966 120.300 -0.022 0.000 3.305 288 Y HA -0.338 4.215 4.550 0.005 0.000 0.212 288 Y C 0.697 176.566 175.900 -0.052 0.000 1.248 288 Y CA 1.066 59.128 58.100 -0.063 0.000 1.359 288 Y CB -2.400 35.975 38.460 -0.142 0.000 1.407 288 Y HN 0.966 nan 8.280 nan 0.000 0.572 289 S N -1.381 114.295 115.700 -0.041 0.000 3.581 289 S HA -0.121 4.352 4.470 0.005 0.000 0.354 289 S C 1.574 176.086 174.600 -0.148 0.000 1.059 289 S CA 1.441 59.606 58.200 -0.059 0.000 1.060 289 S CB -1.744 61.384 63.200 -0.119 0.000 0.908 289 S HN 2.389 nan 8.310 nan 0.000 0.475 290 G N 0.152 108.852 108.800 -0.167 0.000 2.155 290 G HA2 -0.332 3.631 3.960 0.005 0.000 0.257 290 G HA3 -0.332 3.631 3.960 0.005 0.000 0.257 290 G C -0.076 174.551 174.900 -0.453 0.000 0.983 290 G CA 0.500 45.443 45.100 -0.261 0.000 0.676 290 G HN 0.716 nan 8.290 nan 0.000 0.528 291 Q N 0.042 119.493 119.800 -0.582 0.000 3.122 291 Q HA 0.423 4.766 4.340 0.005 0.000 0.360 291 Q C 0.558 175.943 176.000 -1.025 0.000 1.300 291 Q CA 0.103 55.250 55.803 -1.094 0.000 0.982 291 Q CB 0.306 28.641 28.738 -0.671 0.000 1.534 291 Q HN 0.495 nan 8.270 nan 0.000 0.474 292 R N -0.631 119.326 120.500 -0.906 0.000 2.621 292 R HA 0.289 4.632 4.340 0.005 0.000 0.284 292 R C 0.053 176.335 176.300 -0.030 0.000 0.998 292 R CA -0.583 55.365 56.100 -0.252 0.000 0.895 292 R CB 1.146 31.428 30.300 -0.029 0.000 1.195 292 R HN 0.312 nan 8.270 nan 0.000 0.450 293 C N 0.331 119.792 119.300 0.268 0.000 2.425 293 C HA -0.070 4.394 4.460 0.005 0.000 0.277 293 C C 1.510 176.602 174.990 0.170 0.000 1.280 293 C CA 0.923 60.118 59.018 0.295 0.000 1.744 293 C CB -0.515 27.395 27.740 0.283 0.000 1.989 293 C HN 0.796 nan 8.230 nan 0.000 0.491 294 T N -0.583 114.067 114.554 0.160 0.000 2.781 294 T HA 0.676 5.029 4.350 0.005 0.000 0.305 294 T C -0.672 174.063 174.700 0.058 0.000 1.001 294 T CA 0.212 62.399 62.100 0.145 0.000 0.950 294 T CB 0.821 69.833 68.868 0.240 0.000 0.955 294 T HN 0.642 nan 8.240 nan 0.000 0.471 295 A N 4.836 127.673 122.820 0.028 0.000 2.580 295 A HA 0.508 4.831 4.320 0.005 0.000 0.301 295 A C -0.528 177.036 177.584 -0.033 0.000 1.054 295 A CA -1.000 51.021 52.037 -0.026 0.000 0.751 295 A CB 0.793 19.748 19.000 -0.075 0.000 1.275 295 A HN 0.739 nan 8.150 nan 0.000 0.403 296 I N 2.350 122.897 120.570 -0.039 0.000 2.742 296 I HA 0.023 4.196 4.170 0.005 0.000 0.287 296 I C 0.884 176.931 176.117 -0.117 0.000 1.186 296 I CA 1.010 62.284 61.300 -0.044 0.000 1.417 296 I CB -0.062 37.928 38.000 -0.018 0.000 1.377 296 I HN 0.740 nan 8.210 nan 0.000 0.556 297 K N 6.396 126.730 120.400 -0.110 0.000 2.483 297 K HA 0.315 4.638 4.320 0.005 0.000 0.206 297 K C 0.102 176.593 176.600 -0.181 0.000 1.086 297 K CA -0.180 56.020 56.287 -0.146 0.000 1.052 297 K CB 1.185 33.627 32.500 -0.098 0.000 0.904 297 K HN 0.492 nan 8.250 nan 0.000 0.557 298 R N 0.942 121.310 120.500 -0.221 0.000 2.560 298 R HA 0.271 4.614 4.340 0.005 0.000 0.267 298 R C -1.581 174.450 176.300 -0.449 0.000 1.150 298 R CA -0.425 55.441 56.100 -0.390 0.000 0.997 298 R CB 2.355 32.399 30.300 -0.428 0.000 1.250 298 R HN -0.172 nan 8.270 nan 0.000 0.433 299 V N 4.387 124.004 119.914 -0.496 0.000 2.409 299 V HA 0.501 4.624 4.120 0.005 0.000 0.291 299 V C -0.855 174.953 176.094 -0.475 0.000 1.020 299 V CA -0.627 61.460 62.300 -0.356 0.000 0.848 299 V CB 1.361 33.085 31.823 -0.165 0.000 0.990 299 V HN 0.501 nan 8.190 nan 0.000 0.430 300 F N 4.262 124.217 119.950 0.008 0.000 2.308 300 F HA 0.556 5.086 4.527 0.005 0.000 0.370 300 F C 0.073 175.887 175.800 0.023 0.000 1.100 300 F CA -0.704 57.300 58.000 0.006 0.000 1.108 300 F CB 1.678 40.684 39.000 0.011 0.000 1.293 300 F HN 0.288 nan 8.300 nan 0.000 0.478 301 V N 4.591 124.599 119.914 0.156 0.000 2.448 301 V HA 0.389 4.512 4.120 0.005 0.000 0.295 301 V C -0.221 175.924 176.094 0.085 0.000 1.025 301 V CA -0.670 61.688 62.300 0.097 0.000 0.859 301 V CB 1.611 33.457 31.823 0.039 0.000 0.988 301 V HN 0.752 nan 8.190 nan 0.000 0.431 302 Q N 3.690 123.534 119.800 0.074 0.000 2.262 302 Q HA -0.033 4.310 4.340 0.005 0.000 0.298 302 Q C 1.037 177.061 176.000 0.039 0.000 1.083 302 Q CA 0.879 56.714 55.803 0.053 0.000 0.962 302 Q CB 0.839 29.604 28.738 0.045 0.000 1.104 302 Q HN 0.978 nan 8.270 nan 0.000 0.376 303 D N 1.243 121.664 120.400 0.035 0.000 2.221 303 D HA -0.259 4.384 4.640 0.005 0.000 0.204 303 D C 1.607 177.918 176.300 0.019 0.000 0.982 303 D CA 1.382 55.398 54.000 0.027 0.000 0.857 303 D CB -0.340 40.476 40.800 0.026 0.000 0.934 303 D HN 0.494 nan 8.370 nan 0.000 0.475 304 S N 0.101 115.812 115.700 0.019 0.000 2.381 304 S HA -0.248 4.225 4.470 0.005 0.000 0.230 304 S C 1.857 176.464 174.600 0.012 0.000 1.052 304 S CA 2.414 60.623 58.200 0.015 0.000 1.068 304 S CB -0.571 62.639 63.200 0.016 0.000 0.918 304 S HN 0.437 nan 8.310 nan 0.000 0.448 305 V N -1.480 118.443 119.914 0.014 0.000 3.578 305 V HA 0.671 4.794 4.120 0.005 0.000 0.290 305 V C 2.247 178.343 176.094 0.003 0.000 1.376 305 V CA 0.476 62.781 62.300 0.008 0.000 1.083 305 V CB -0.834 30.995 31.823 0.010 0.000 0.911 305 V HN 0.502 nan 8.190 nan 0.000 0.433 306 A N 1.413 124.238 122.820 0.008 0.000 1.873 306 A HA -0.267 4.056 4.320 0.005 0.000 0.218 306 A C 1.853 179.434 177.584 -0.005 0.000 1.193 306 A CA 2.627 54.666 52.037 0.003 0.000 0.629 306 A CB -0.918 18.089 19.000 0.011 0.000 0.826 306 A HN 0.535 nan 8.150 nan 0.000 0.447 307 D N -1.248 119.150 120.400 -0.003 0.000 2.123 307 D HA -0.160 4.483 4.640 0.005 0.000 0.196 307 D C 2.114 178.408 176.300 -0.011 0.000 0.992 307 D CA 1.777 55.773 54.000 -0.006 0.000 0.833 307 D CB -0.302 40.496 40.800 -0.003 0.000 0.954 307 D HN 0.522 nan 8.370 nan 0.000 0.455 308 Q N 0.154 119.947 119.800 -0.011 0.000 2.016 308 Q HA -0.062 4.281 4.340 0.005 0.000 0.200 308 Q C 2.065 178.050 176.000 -0.024 0.000 0.978 308 Q CA 0.894 56.688 55.803 -0.015 0.000 0.833 308 Q CB -0.682 28.049 28.738 -0.012 0.000 0.895 308 Q HN 0.272 nan 8.270 nan 0.000 0.427 309 L N -0.511 120.695 121.223 -0.027 0.000 2.081 309 L HA -0.139 4.204 4.340 0.005 0.000 0.212 309 L C 2.204 179.050 176.870 -0.040 0.000 1.080 309 L CA 1.379 56.193 54.840 -0.043 0.000 0.754 309 L CB -0.557 41.473 42.059 -0.049 0.000 0.893 309 L HN 0.168 nan 8.230 nan 0.000 0.433 310 V N -0.740 119.156 119.914 -0.029 0.000 2.548 310 V HA -0.214 3.909 4.120 0.005 0.000 0.249 310 V C 2.576 178.655 176.094 -0.024 0.000 1.055 310 V CA 1.433 63.719 62.300 -0.025 0.000 1.065 310 V CB -0.431 31.381 31.823 -0.018 0.000 0.681 310 V HN 0.590 nan 8.190 nan 0.000 0.462 311 A N -0.078 122.728 122.820 -0.024 0.000 1.968 311 A HA -0.159 4.164 4.320 0.005 0.000 0.217 311 A C 1.992 179.558 177.584 -0.030 0.000 1.169 311 A CA 1.699 53.721 52.037 -0.025 0.000 0.638 311 A CB -0.509 18.479 19.000 -0.020 0.000 0.812 311 A HN 0.591 nan 8.150 nan 0.000 0.446 312 N N 0.324 119.003 118.700 -0.034 0.000 2.135 312 N HA -0.049 4.694 4.740 0.005 0.000 0.186 312 N C 1.592 177.076 175.510 -0.043 0.000 1.027 312 N CA 1.428 54.454 53.050 -0.040 0.000 0.849 312 N CB -0.440 38.019 38.487 -0.048 0.000 1.002 312 N HN 0.538 nan 8.380 nan 0.000 0.425 313 I N 1.107 121.653 120.570 -0.041 0.000 2.226 313 I HA -0.260 3.913 4.170 0.005 0.000 0.245 313 I C 2.397 178.491 176.117 -0.038 0.000 1.100 313 I CA 1.079 62.361 61.300 -0.030 0.000 1.374 313 I CB -0.190 37.802 38.000 -0.014 0.000 1.057 313 I HN 0.148 nan 8.210 nan 0.000 0.413 314 K N 1.111 121.488 120.400 -0.038 0.000 2.032 314 K HA -0.280 4.043 4.320 0.005 0.000 0.209 314 K C 2.060 178.623 176.600 -0.062 0.000 1.048 314 K CA 1.923 58.181 56.287 -0.048 0.000 0.927 314 K CB -0.085 32.393 32.500 -0.036 0.000 0.712 314 K HN 0.220 nan 8.250 nan 0.000 0.441 315 E N 0.551 120.720 120.200 -0.052 0.000 2.048 315 E HA -0.234 4.119 4.350 0.005 0.000 0.202 315 E C 2.002 178.562 176.600 -0.067 0.000 1.021 315 E CA 1.968 58.336 56.400 -0.052 0.000 0.825 315 E CB -0.140 29.535 29.700 -0.042 0.000 0.756 315 E HN 0.315 nan 8.360 nan 0.000 0.454 316 L N -0.106 121.076 121.223 -0.068 0.000 2.141 316 L HA -0.151 4.192 4.340 0.005 0.000 0.209 316 L C 2.444 179.234 176.870 -0.133 0.000 1.094 316 L CA 0.473 55.266 54.840 -0.079 0.000 0.763 316 L CB -0.229 41.795 42.059 -0.058 0.000 0.908 316 L HN 0.132 nan 8.230 nan 0.000 0.437 317 V N -0.114 119.696 119.914 -0.174 0.000 2.515 317 V HA -0.219 3.904 4.120 0.005 0.000 0.250 317 V C 2.147 178.093 176.094 -0.246 0.000 1.058 317 V CA 1.599 63.710 62.300 -0.315 0.000 1.064 317 V CB -0.420 31.202 31.823 -0.334 0.000 0.675 317 V HN 0.489 nan 8.190 nan 0.000 0.461 318 E N -0.582 119.525 120.200 -0.155 0.000 2.481 318 E HA -0.173 4.180 4.350 0.005 0.000 0.195 318 E C 1.997 178.538 176.600 -0.099 0.000 1.047 318 E CA 0.277 56.608 56.400 -0.116 0.000 0.867 318 E CB 0.075 29.726 29.700 -0.083 0.000 0.858 318 E HN 0.547 nan 8.360 nan 0.000 0.513 319 Q N 0.426 120.164 119.800 -0.103 0.000 2.212 319 Q HA 0.052 4.395 4.340 0.005 0.000 0.199 319 Q C 0.350 176.299 176.000 -0.084 0.000 0.950 319 Q CA 0.231 55.986 55.803 -0.080 0.000 0.863 319 Q CB 0.267 28.963 28.738 -0.070 0.000 0.944 319 Q HN 0.185 nan 8.270 nan 0.000 0.465 320 L N 2.190 123.341 121.223 -0.119 0.000 2.540 320 L HA 0.034 4.377 4.340 0.005 0.000 0.276 320 L C 0.450 177.269 176.870 -0.085 0.000 1.212 320 L CA -0.225 54.548 54.840 -0.112 0.000 0.893 320 L CB -0.101 41.852 42.059 -0.177 0.000 1.138 320 L HN 0.187 nan 8.230 nan 0.000 0.491 321 T N 0.573 115.093 114.554 -0.056 0.000 2.913 321 T HA 0.483 4.836 4.350 0.005 0.000 0.297 321 T C -0.129 174.547 174.700 -0.039 0.000 1.029 321 T CA -0.831 61.244 62.100 -0.042 0.000 1.104 321 T CB 1.532 70.384 68.868 -0.028 0.000 0.964 321 T HN 0.261 nan 8.240 nan 0.000 0.532 322 V N 2.309 122.203 119.914 -0.033 0.000 2.531 322 V HA 0.850 4.973 4.120 0.005 0.000 0.301 322 V C 0.678 176.763 176.094 -0.015 0.000 1.034 322 V CA 0.031 62.315 62.300 -0.026 0.000 0.865 322 V CB 0.975 32.778 31.823 -0.033 0.000 0.995 322 V HN 1.469 nan 8.190 nan 0.000 0.424 323 G N 2.978 111.774 108.800 -0.007 0.000 2.356 323 G HA2 0.448 4.411 3.960 0.005 0.000 0.281 323 G HA3 0.448 4.411 3.960 0.005 0.000 0.281 323 G C -0.551 174.353 174.900 0.007 0.000 1.246 323 G CA 0.072 45.171 45.100 -0.001 0.000 0.889 323 G HN 0.986 nan 8.290 nan 0.000 0.486 324 S N 0.286 115.992 115.700 0.009 0.000 2.601 324 S HA 0.550 5.023 4.470 0.005 0.000 0.271 324 S C -1.442 173.164 174.600 0.011 0.000 1.305 324 S CA -0.422 57.788 58.200 0.016 0.000 1.022 324 S CB 2.078 65.291 63.200 0.021 0.000 0.940 324 S HN 0.250 nan 8.310 nan 0.000 0.525 325 P HA -0.108 nan 4.420 nan 0.000 0.216 325 P C 1.121 178.399 177.300 -0.036 0.000 1.150 325 P CA 1.290 64.387 63.100 -0.006 0.000 0.843 325 P CB 0.012 31.705 31.700 -0.013 0.000 0.787 326 E N -0.835 119.342 120.200 -0.039 0.000 2.268 326 E HA -0.154 4.199 4.350 0.005 0.000 0.195 326 E C 0.830 177.418 176.600 -0.020 0.000 0.995 326 E CA 0.820 57.195 56.400 -0.041 0.000 0.836 326 E CB -0.360 29.334 29.700 -0.010 0.000 0.763 326 E HN 0.295 nan 8.360 nan 0.000 0.491 327 D N 0.139 120.533 120.400 -0.010 0.000 2.340 327 D HA -0.035 4.608 4.640 0.005 0.000 0.220 327 D C -0.099 176.196 176.300 -0.009 0.000 1.039 327 D CA 0.303 54.299 54.000 -0.007 0.000 0.866 327 D CB 0.192 40.991 40.800 -0.002 0.000 0.913 327 D HN -0.017 nan 8.370 nan 0.000 0.523 328 D N -0.248 120.145 120.400 -0.011 0.000 2.870 328 D HA -0.164 4.479 4.640 0.005 0.000 0.228 328 D C 0.027 176.326 176.300 -0.002 0.000 1.147 328 D CA 0.710 54.705 54.000 -0.009 0.000 0.757 328 D CB -1.109 39.684 40.800 -0.012 0.000 1.091 328 D HN 0.285 nan 8.370 nan 0.000 0.429 329 A N 0.213 123.033 122.820 0.000 0.000 2.466 329 A HA 0.090 4.413 4.320 0.005 0.000 0.238 329 A C 1.380 178.970 177.584 0.009 0.000 1.074 329 A CA 0.301 52.338 52.037 -0.000 0.000 0.774 329 A CB 0.475 19.474 19.000 -0.002 0.000 1.015 329 A HN 0.072 nan 8.150 nan 0.000 0.498 330 D N -0.040 120.361 120.400 0.002 0.000 2.149 330 D HA -0.021 4.622 4.640 0.005 0.000 0.201 330 D C 0.352 176.666 176.300 0.025 0.000 0.972 330 D CA 1.311 55.319 54.000 0.012 0.000 0.835 330 D CB 0.046 40.840 40.800 -0.010 0.000 0.966 330 D HN 0.361 nan 8.370 nan 0.000 0.476 331 I N 1.942 122.515 120.570 0.005 0.000 2.355 331 I HA 0.134 4.308 4.170 0.005 0.000 0.288 331 I C 0.573 176.693 176.117 0.005 0.000 0.999 331 I CA -0.212 61.092 61.300 0.007 0.000 1.163 331 I CB 1.237 39.229 38.000 -0.013 0.000 1.316 331 I HN -0.174 nan 8.210 nan 0.000 0.454 332 T N 4.259 118.817 114.554 0.008 0.000 2.938 332 T HA 0.664 5.017 4.350 0.005 0.000 0.285 332 T C -2.778 171.917 174.700 -0.008 0.000 1.028 332 T CA -2.292 59.815 62.100 0.012 0.000 1.005 332 T CB 1.636 70.532 68.868 0.046 0.000 1.157 332 T HN 0.157 nan 8.240 nan 0.000 0.550 333 P HA 0.254 nan 4.420 nan 0.000 0.269 333 P C 0.104 177.389 177.300 -0.025 0.000 1.209 333 P CA -0.611 62.487 63.100 -0.003 0.000 0.776 333 P CB 0.238 31.946 31.700 0.012 0.000 0.876 334 V N 1.405 121.302 119.914 -0.028 0.000 3.133 334 V HA 0.085 4.208 4.120 0.005 0.000 0.305 334 V C 1.559 177.629 176.094 -0.040 0.000 1.084 334 V CA -0.222 62.053 62.300 -0.041 0.000 1.089 334 V CB -0.145 31.674 31.823 -0.006 0.000 1.073 334 V HN 0.397 nan 8.190 nan 0.000 0.477 335 I N 1.647 122.174 120.570 -0.072 0.000 2.248 335 I HA -0.046 4.127 4.170 0.005 0.000 0.248 335 I C 0.706 176.733 176.117 -0.149 0.000 1.107 335 I CA 2.091 63.282 61.300 -0.182 0.000 1.373 335 I CB -0.646 36.982 38.000 -0.621 0.000 1.055 335 I HN 1.223 nan 8.210 nan 0.000 0.418 336 D N -3.570 116.770 120.400 -0.101 0.000 2.713 336 D HA 0.094 4.737 4.640 0.005 0.000 0.306 336 D C 0.650 176.936 176.300 -0.024 0.000 1.299 336 D CA -0.555 53.405 54.000 -0.065 0.000 0.823 336 D CB 0.102 40.848 40.800 -0.090 0.000 1.353 336 D HN -0.186 nan 8.370 nan 0.000 0.447 337 E N 0.300 120.492 120.200 -0.013 0.000 2.058 337 E HA -0.180 4.173 4.350 0.005 0.000 0.194 337 E C 1.476 178.090 176.600 0.023 0.000 0.997 337 E CA 1.261 57.664 56.400 0.006 0.000 0.801 337 E CB -0.127 29.576 29.700 0.004 0.000 0.746 337 E HN 0.456 nan 8.360 nan 0.000 0.450 338 K N 0.506 120.914 120.400 0.013 0.000 2.032 338 K HA -0.130 4.193 4.320 0.005 0.000 0.209 338 K C 2.420 179.063 176.600 0.072 0.000 1.048 338 K CA 1.362 57.669 56.287 0.032 0.000 0.927 338 K CB -0.285 32.215 32.500 0.000 0.000 0.712 338 K HN -0.032 nan 8.250 nan 0.000 0.441 339 S N 0.588 116.317 115.700 0.047 0.000 2.348 339 S HA -0.161 4.312 4.470 0.005 0.000 0.221 339 S C 2.120 176.813 174.600 0.154 0.000 1.033 339 S CA 1.350 59.612 58.200 0.102 0.000 1.010 339 S CB -0.260 62.976 63.200 0.060 0.000 0.891 339 S HN 0.375 nan 8.310 nan 0.000 0.442 340 A N 1.360 124.233 122.820 0.089 0.000 1.948 340 A HA 0.031 4.354 4.320 0.005 0.000 0.220 340 A C 2.436 180.072 177.584 0.086 0.000 1.177 340 A CA 2.182 54.265 52.037 0.076 0.000 0.636 340 A CB -1.365 17.660 19.000 0.042 0.000 0.815 340 A HN 0.811 nan 8.150 nan 0.000 0.449 341 A N -1.586 121.292 122.820 0.097 0.000 1.929 341 A HA 0.065 4.388 4.320 0.005 0.000 0.216 341 A C 2.023 179.678 177.584 0.118 0.000 1.176 341 A CA 1.403 53.493 52.037 0.088 0.000 0.628 341 A CB -0.640 18.408 19.000 0.081 0.000 0.816 341 A HN 0.675 nan 8.150 nan 0.000 0.444 342 F N 0.822 120.790 119.950 0.031 0.000 2.102 342 F HA -0.161 4.369 4.527 0.005 0.000 0.298 342 F C 1.872 177.700 175.800 0.046 0.000 1.105 342 F CA 1.798 59.822 58.000 0.041 0.000 1.239 342 F CB -0.262 38.768 39.000 0.049 0.000 0.991 342 F HN 0.173 nan 8.300 nan 0.000 0.474 343 I N 0.117 120.740 120.570 0.088 0.000 2.226 343 I HA -0.314 3.860 4.170 0.005 0.000 0.245 343 I C 2.439 178.509 176.117 -0.079 0.000 1.100 343 I CA 1.576 62.869 61.300 -0.013 0.000 1.374 343 I CB -0.637 37.413 38.000 0.082 0.000 1.057 343 I HN 0.208 nan 8.210 nan 0.000 0.413 344 Q N 1.150 120.930 119.800 -0.034 0.000 2.061 344 Q HA -0.152 4.191 4.340 0.005 0.000 0.204 344 Q C 2.231 178.191 176.000 -0.067 0.000 0.984 344 Q CA 2.177 57.960 55.803 -0.034 0.000 0.846 344 Q CB -0.799 27.937 28.738 -0.004 0.000 0.902 344 Q HN 0.492 nan 8.270 nan 0.000 0.421 345 G N 0.261 109.001 108.800 -0.100 0.000 2.469 345 G HA2 -0.265 3.698 3.960 0.005 0.000 0.219 345 G HA3 -0.265 3.698 3.960 0.005 0.000 0.219 345 G C 1.206 176.018 174.900 -0.147 0.000 1.150 345 G CA 1.076 46.105 45.100 -0.118 0.000 0.763 345 G HN 0.345 nan 8.290 nan 0.000 0.561 346 L N 0.582 121.667 121.223 -0.230 0.000 1.994 346 L HA 0.070 4.413 4.340 0.005 0.000 0.208 346 L C 2.909 179.720 176.870 -0.099 0.000 1.071 346 L CA 1.082 55.806 54.840 -0.193 0.000 0.745 346 L CB -0.744 41.164 42.059 -0.252 0.000 0.892 346 L HN 0.242 nan 8.230 nan 0.000 0.431 347 I N -0.589 119.933 120.570 -0.079 0.000 2.127 347 I HA -0.330 3.843 4.170 0.005 0.000 0.241 347 I C 2.101 178.197 176.117 -0.034 0.000 1.075 347 I CA 1.452 62.726 61.300 -0.044 0.000 1.334 347 I CB -0.483 37.500 38.000 -0.027 0.000 1.040 347 I HN 0.249 nan 8.210 nan 0.000 0.405 348 D N 0.631 121.010 120.400 -0.035 0.000 2.104 348 D HA -0.252 4.391 4.640 0.005 0.000 0.194 348 D C 1.750 178.038 176.300 -0.020 0.000 0.994 348 D CA 1.680 55.665 54.000 -0.024 0.000 0.830 348 D CB -0.531 40.255 40.800 -0.022 0.000 0.959 348 D HN 0.380 nan 8.370 nan 0.000 0.452 349 D N -0.129 120.254 120.400 -0.028 0.000 2.149 349 D HA -0.141 4.502 4.640 0.005 0.000 0.198 349 D C 1.873 178.169 176.300 -0.007 0.000 0.990 349 D CA 1.688 55.678 54.000 -0.016 0.000 0.839 349 D CB -0.015 40.773 40.800 -0.020 0.000 0.948 349 D HN 0.148 nan 8.370 nan 0.000 0.460 350 A N 0.038 122.849 122.820 -0.016 0.000 1.855 350 A HA -0.062 4.261 4.320 0.005 0.000 0.215 350 A C 2.377 179.958 177.584 -0.006 0.000 1.191 350 A CA 1.252 53.282 52.037 -0.011 0.000 0.613 350 A CB -0.883 18.103 19.000 -0.023 0.000 0.829 350 A HN 0.348 nan 8.150 nan 0.000 0.442 351 L N -0.822 120.396 121.223 -0.008 0.000 2.017 351 L HA -0.213 4.131 4.340 0.005 0.000 0.208 351 L C 2.587 179.456 176.870 -0.000 0.000 1.073 351 L CA 1.808 56.645 54.840 -0.005 0.000 0.745 351 L CB -0.826 41.230 42.059 -0.006 0.000 0.894 351 L HN 0.483 nan 8.230 nan 0.000 0.432 352 E N 0.370 120.570 120.200 -0.000 0.000 2.233 352 E HA -0.247 4.106 4.350 0.005 0.000 0.199 352 E C 1.343 177.948 176.600 0.008 0.000 1.004 352 E CA 1.121 57.523 56.400 0.004 0.000 0.819 352 E CB 0.034 29.736 29.700 0.003 0.000 0.738 352 E HN 0.481 nan 8.360 nan 0.000 0.478 353 N N -1.306 117.400 118.700 0.010 0.000 2.236 353 N HA 0.036 4.779 4.740 0.005 0.000 0.196 353 N C 0.598 176.116 175.510 0.013 0.000 1.114 353 N CA 0.816 53.875 53.050 0.015 0.000 0.859 353 N CB 1.536 40.036 38.487 0.023 0.000 0.982 353 N HN 0.254 nan 8.380 nan 0.000 0.493 354 G N 0.469 109.274 108.800 0.008 0.000 2.134 354 G HA2 -0.215 3.748 3.960 0.005 0.000 0.209 354 G HA3 -0.215 3.748 3.960 0.005 0.000 0.209 354 G C 0.264 175.166 174.900 0.004 0.000 0.993 354 G CA 0.067 45.171 45.100 0.007 0.000 0.669 354 G HN 0.526 nan 8.290 nan 0.000 0.519 355 A N -0.204 122.617 122.820 0.001 0.000 2.406 355 A HA 0.686 5.009 4.320 0.005 0.000 0.243 355 A C 0.740 178.321 177.584 -0.005 0.000 1.082 355 A CA 1.138 53.172 52.037 -0.004 0.000 0.786 355 A CB 0.390 19.384 19.000 -0.011 0.000 1.029 355 A HN 0.829 nan 8.150 nan 0.000 0.495 356 T N 1.911 116.461 114.554 -0.007 0.000 2.749 356 T HA 0.402 4.755 4.350 0.005 0.000 0.287 356 T C -0.297 174.399 174.700 -0.007 0.000 0.970 356 T CA -0.160 61.937 62.100 -0.006 0.000 0.980 356 T CB 0.603 69.468 68.868 -0.006 0.000 0.924 356 T HN 0.475 nan 8.240 nan 0.000 0.456 357 L N 5.172 126.391 121.223 -0.006 0.000 2.315 357 L HA 0.337 4.680 4.340 0.005 0.000 0.283 357 L C 0.537 177.402 176.870 -0.008 0.000 1.089 357 L CA 0.239 55.076 54.840 -0.006 0.000 0.833 357 L CB -0.037 42.018 42.059 -0.006 0.000 1.170 357 L HN 0.721 nan 8.230 nan 0.000 0.442 358 L N 2.395 123.613 121.223 -0.009 0.000 2.425 358 L HA 0.305 4.648 4.340 0.005 0.000 0.215 358 L C 0.705 177.563 176.870 -0.020 0.000 1.065 358 L CA 0.234 55.066 54.840 -0.013 0.000 0.842 358 L CB 0.173 42.225 42.059 -0.013 0.000 1.033 358 L HN 0.655 nan 8.230 nan 0.000 0.474 359 S N -0.989 114.700 115.700 -0.019 0.000 2.556 359 S HA 0.576 5.049 4.470 0.005 0.000 0.271 359 S C -0.186 174.400 174.600 -0.025 0.000 1.135 359 S CA -0.352 57.828 58.200 -0.032 0.000 0.858 359 S CB 1.615 64.781 63.200 -0.057 0.000 1.114 359 S HN 0.274 nan 8.310 nan 0.000 0.468 360 G N 2.940 111.721 108.800 -0.032 0.000 2.772 360 G HA2 -0.144 3.819 3.960 0.005 0.000 0.286 360 G HA3 -0.144 3.819 3.960 0.005 0.000 0.286 360 G C 0.069 174.963 174.900 -0.010 0.000 0.423 360 G CA 0.469 45.556 45.100 -0.023 0.000 1.142 360 G HN 0.735 nan 8.290 nan 0.000 0.211 361 N N 1.024 119.720 118.700 -0.006 0.000 3.228 361 N HA 0.353 5.096 4.740 0.005 0.000 0.289 361 N C -0.324 175.184 175.510 -0.003 0.000 1.419 361 N CA -0.535 52.514 53.050 -0.001 0.000 1.088 361 N CB 0.419 38.904 38.487 -0.002 0.000 1.357 361 N HN 0.347 nan 8.380 nan 0.000 0.504 362 K N 0.655 121.053 120.400 -0.003 0.000 2.435 362 K HA 0.595 4.918 4.320 0.005 0.000 0.251 362 K C -0.783 175.816 176.600 -0.002 0.000 0.954 362 K CA -0.475 55.810 56.287 -0.004 0.000 0.820 362 K CB 1.942 34.437 32.500 -0.009 0.000 1.292 362 K HN 0.233 nan 8.250 nan 0.000 0.436 363 R N 0.745 121.245 120.500 -0.000 0.000 2.740 363 R HA 0.403 4.746 4.340 0.005 0.000 0.273 363 R C -1.334 174.967 176.300 0.001 0.000 0.998 363 R CA -1.001 55.100 56.100 0.002 0.000 0.900 363 R CB 2.365 32.668 30.300 0.006 0.000 1.223 363 R HN 0.460 nan 8.270 nan 0.000 0.466 364 Q N 1.228 121.029 119.800 0.002 0.000 2.397 364 Q HA 0.329 4.672 4.340 0.005 0.000 0.260 364 Q C 0.012 176.016 176.000 0.005 0.000 1.002 364 Q CA 0.278 56.083 55.803 0.003 0.000 0.716 364 Q CB 1.585 30.325 28.738 0.002 0.000 1.258 364 Q HN 0.871 nan 8.270 nan 0.000 0.477 365 G N 3.966 112.770 108.800 0.006 0.000 2.561 365 G HA2 -0.414 3.549 3.960 0.005 0.000 0.289 365 G HA3 -0.414 3.549 3.960 0.005 0.000 0.289 365 G C 0.309 175.214 174.900 0.009 0.000 1.169 365 G CA 0.549 45.654 45.100 0.008 0.000 0.980 365 G HN 0.764 nan 8.290 nan 0.000 0.550 366 N N 0.218 118.923 118.700 0.008 0.000 2.336 366 N HA 0.275 5.018 4.740 0.005 0.000 0.189 366 N C 0.484 175.998 175.510 0.006 0.000 1.113 366 N CA -0.154 52.900 53.050 0.008 0.000 0.858 366 N CB 0.376 38.865 38.487 0.004 0.000 0.970 366 N HN 0.387 nan 8.380 nan 0.000 0.471 367 L N 2.225 123.451 121.223 0.006 0.000 2.312 367 L HA 0.296 4.639 4.340 0.005 0.000 0.287 367 L C -1.064 175.808 176.870 0.004 0.000 1.091 367 L CA -0.290 54.552 54.840 0.003 0.000 0.846 367 L CB -0.017 42.045 42.059 0.004 0.000 1.219 367 L HN -0.090 nan 8.230 nan 0.000 0.439 368 L N 4.028 125.255 121.223 0.006 0.000 2.325 368 L HA 0.497 4.840 4.340 0.005 0.000 0.279 368 L C 0.721 177.595 176.870 0.006 0.000 1.054 368 L CA 0.124 54.970 54.840 0.010 0.000 0.804 368 L CB 1.525 43.596 42.059 0.021 0.000 1.200 368 L HN 0.765 nan 8.230 nan 0.000 0.436 369 S N 3.462 119.161 115.700 -0.001 0.000 2.573 369 S HA 0.331 4.804 4.470 0.005 0.000 0.277 369 S C -2.390 172.208 174.600 -0.004 0.000 1.346 369 S CA -0.960 57.230 58.200 -0.017 0.000 1.034 369 S CB 0.079 63.263 63.200 -0.026 0.000 0.879 369 S HN 0.478 nan 8.310 nan 0.000 0.528 370 P HA 0.221 nan 4.420 nan 0.000 0.276 370 P C -0.754 176.543 177.300 -0.005 0.000 1.243 370 P CA -0.162 62.913 63.100 -0.041 0.000 0.768 370 P CB 0.535 31.963 31.700 -0.453 0.000 0.856 371 T N 4.321 118.975 114.554 0.166 0.000 2.779 371 T HA 0.420 4.773 4.350 0.005 0.000 0.280 371 T C -0.316 174.480 174.700 0.160 0.000 0.987 371 T CA -0.339 61.824 62.100 0.105 0.000 0.966 371 T CB 0.672 69.581 68.868 0.068 0.000 0.933 371 T HN 0.221 nan 8.240 nan 0.000 0.442 372 L N 5.011 126.285 121.223 0.084 0.000 2.313 372 L HA 0.672 5.015 4.340 0.005 0.000 0.283 372 L C -1.509 175.378 176.870 0.030 0.000 1.013 372 L CA -0.547 54.343 54.840 0.083 0.000 0.816 372 L CB 0.822 42.915 42.059 0.057 0.000 1.236 372 L HN 0.588 nan 8.230 nan 0.000 0.419 373 L N 4.811 126.042 121.223 0.014 0.000 2.343 373 L HA 0.500 4.843 4.340 0.005 0.000 0.278 373 L C -0.712 176.145 176.870 -0.022 0.000 0.996 373 L CA -0.621 54.214 54.840 -0.009 0.000 0.831 373 L CB 1.666 43.713 42.059 -0.020 0.000 1.232 373 L HN 0.556 nan 8.230 nan 0.000 0.413 374 D N 1.792 122.182 120.400 -0.018 0.000 2.387 374 D HA 0.179 4.822 4.640 0.005 0.000 0.255 374 D C 0.025 176.314 176.300 -0.018 0.000 1.081 374 D CA 0.143 54.131 54.000 -0.020 0.000 0.994 374 D CB 1.124 41.916 40.800 -0.013 0.000 1.127 374 D HN 0.527 nan 8.370 nan 0.000 0.513 375 D N -0.137 120.254 120.400 -0.014 0.000 2.800 375 D HA -0.137 4.506 4.640 0.005 0.000 0.232 375 D C -0.359 175.936 176.300 -0.008 0.000 1.137 375 D CA 0.315 54.312 54.000 -0.005 0.000 0.718 375 D CB -1.497 39.304 40.800 0.000 0.000 1.084 375 D HN 0.034 nan 8.370 nan 0.000 0.432 376 V N 0.423 120.322 119.914 -0.024 0.000 2.775 376 V HA 0.492 4.615 4.120 0.005 0.000 0.299 376 V C 1.248 177.333 176.094 -0.016 0.000 1.062 376 V CA 0.498 62.777 62.300 -0.035 0.000 1.063 376 V CB 1.783 33.557 31.823 -0.082 0.000 0.994 376 V HN 0.402 nan 8.190 nan 0.000 0.483 377 T N 1.444 115.998 114.554 0.000 0.000 2.901 377 T HA 0.466 4.819 4.350 0.005 0.000 0.293 377 T C -2.330 172.409 174.700 0.066 0.000 1.084 377 T CA -2.037 60.088 62.100 0.041 0.000 1.008 377 T CB 1.971 70.874 68.868 0.060 0.000 1.170 377 T HN 0.337 nan 8.240 nan 0.000 0.509 378 P HA 0.043 nan 4.420 nan 0.000 0.224 378 P C 1.209 178.780 177.300 0.453 0.000 1.142 378 P CA 0.929 64.249 63.100 0.367 0.000 0.778 378 P CB -0.197 31.729 31.700 0.376 0.000 0.764 379 A N -1.980 120.988 122.820 0.246 0.000 2.132 379 A HA 0.097 4.420 4.320 0.005 0.000 0.213 379 A C 1.138 178.833 177.584 0.185 0.000 1.154 379 A CA 0.464 52.619 52.037 0.197 0.000 0.753 379 A CB -0.667 18.404 19.000 0.118 0.000 0.826 379 A HN 0.140 nan 8.150 nan 0.000 0.469 380 M N -0.511 119.183 119.600 0.156 0.000 2.249 380 M HA 0.293 4.776 4.480 0.005 0.000 0.351 380 M C 1.104 177.502 176.300 0.163 0.000 1.180 380 M CA -0.382 54.982 55.300 0.108 0.000 1.127 380 M CB 1.102 33.723 32.600 0.035 0.000 1.546 380 M HN 0.189 nan 8.290 nan 0.000 0.461 381 R N 0.891 121.475 120.500 0.140 0.000 2.103 381 R HA -0.136 4.207 4.340 0.005 0.000 0.242 381 R C 1.754 178.134 176.300 0.135 0.000 1.142 381 R CA 1.326 57.527 56.100 0.169 0.000 0.960 381 R CB -0.370 29.973 30.300 0.072 0.000 0.858 381 R HN 0.598 nan 8.270 nan 0.000 0.439 382 V N 0.810 120.739 119.914 0.025 0.000 3.305 382 V HA -0.041 4.082 4.120 0.005 0.000 0.269 382 V C 1.876 177.908 176.094 -0.102 0.000 1.157 382 V CA 1.218 63.502 62.300 -0.027 0.000 1.157 382 V CB -0.106 31.682 31.823 -0.058 0.000 0.772 382 V HN 0.379 nan 8.190 nan 0.000 0.498 383 A N -1.197 121.505 122.820 -0.196 0.000 2.015 383 A HA -0.126 4.197 4.320 0.005 0.000 0.219 383 A C 1.699 178.858 177.584 -0.707 0.000 1.163 383 A CA 1.769 53.466 52.037 -0.567 0.000 0.646 383 A CB -0.417 18.093 19.000 -0.817 0.000 0.806 383 A HN 0.792 nan 8.150 nan 0.000 0.448 384 W N -1.038 120.329 121.300 0.112 0.000 3.520 384 W HA 0.275 4.938 4.660 0.005 0.000 0.223 384 W C 0.285 176.938 176.519 0.224 0.000 1.110 384 W CA -0.395 57.051 57.345 0.168 0.000 1.552 384 W CB 0.376 29.925 29.460 0.149 0.000 0.775 384 W HN 0.004 nan 8.180 nan 0.000 0.794 385 E N 2.503 122.940 120.200 0.395 0.000 2.259 385 E HA 0.049 4.402 4.350 0.005 0.000 0.281 385 E C -0.280 176.499 176.600 0.299 0.000 1.037 385 E CA -0.202 56.427 56.400 0.383 0.000 0.854 385 E CB 0.980 30.887 29.700 0.345 0.000 1.051 385 E HN 0.019 nan 8.360 nan 0.000 0.409 386 E N 5.098 125.468 120.200 0.283 0.000 2.383 386 E HA -0.016 4.337 4.350 0.005 0.000 0.257 386 E C -1.769 175.046 176.600 0.358 0.000 1.079 386 E CA -1.407 55.099 56.400 0.176 0.000 0.934 386 E CB 0.606 30.302 29.700 -0.007 0.000 0.978 386 E HN 0.248 nan 8.360 nan 0.000 0.462 387 P HA -0.018 nan 4.420 nan 0.000 0.218 387 P C -0.170 177.409 177.300 0.464 0.000 1.152 387 P CA 0.225 63.566 63.100 0.402 0.000 0.826 387 P CB 0.111 31.908 31.700 0.161 0.000 0.790 388 F N -0.672 119.348 119.950 0.118 0.000 3.039 388 F HA -0.102 4.428 4.527 0.005 0.000 0.287 388 F C 0.640 176.483 175.800 0.073 0.000 0.956 388 F CA 1.010 59.061 58.000 0.085 0.000 0.971 388 F CB -1.424 37.644 39.000 0.114 0.000 0.943 388 F HN 0.072 nan 8.300 nan 0.000 0.766 389 G N -0.155 108.680 108.800 0.059 0.000 2.623 389 G HA2 0.612 4.575 3.960 0.005 0.000 0.290 389 G HA3 0.612 4.575 3.960 0.005 0.000 0.290 389 G C -3.183 171.701 174.900 -0.027 0.000 1.437 389 G CA -0.892 44.223 45.100 0.025 0.000 0.798 389 G HN -0.142 nan 8.290 nan 0.000 0.488 390 P HA 0.310 nan 4.420 nan 0.000 0.237 390 P C -0.566 176.848 177.300 0.191 0.000 1.788 390 P CA -0.031 63.149 63.100 0.133 0.000 1.061 390 P CB 0.709 32.542 31.700 0.222 0.000 1.967 391 V N 4.423 124.337 119.914 -0.000 0.000 2.686 391 V HA 0.563 4.686 4.120 0.005 0.000 0.306 391 V C -1.594 174.419 176.094 -0.135 0.000 1.065 391 V CA -1.186 61.126 62.300 0.020 0.000 0.894 391 V CB 2.529 34.358 31.823 0.010 0.000 1.004 391 V HN 0.135 nan 8.190 nan 0.000 0.424 392 L N 9.603 130.793 121.223 -0.057 0.000 2.372 392 L HA 0.853 5.196 4.340 0.005 0.000 0.274 392 L C -2.682 174.145 176.870 -0.072 0.000 0.988 392 L CA -1.414 53.347 54.840 -0.131 0.000 0.833 392 L CB 2.611 44.588 42.059 -0.137 0.000 1.236 392 L HN 0.540 nan 8.230 nan 0.000 0.410 393 P HA 0.391 nan 4.420 nan 0.000 0.294 393 P C -1.306 175.893 177.300 -0.168 0.000 1.294 393 P CA -0.398 62.624 63.100 -0.130 0.000 0.827 393 P CB 1.791 33.395 31.700 -0.159 0.000 0.992 394 I N 4.404 124.897 120.570 -0.127 0.000 2.378 394 I HA 0.431 4.604 4.170 0.005 0.000 0.291 394 I C 0.363 176.414 176.117 -0.110 0.000 0.992 394 I CA -0.825 60.399 61.300 -0.126 0.000 1.154 394 I CB 1.333 39.293 38.000 -0.067 0.000 1.315 394 I HN 0.267 nan 8.210 nan 0.000 0.448 395 I N 5.996 126.493 120.570 -0.121 0.000 2.418 395 I HA 0.341 4.514 4.170 0.005 0.000 0.287 395 I C 0.141 176.309 176.117 0.085 0.000 1.008 395 I CA -0.754 60.538 61.300 -0.014 0.000 1.104 395 I CB 1.278 39.285 38.000 0.011 0.000 1.264 395 I HN 0.314 nan 8.210 nan 0.000 0.438 396 R N 4.838 125.380 120.500 0.069 0.000 2.491 396 R HA 0.531 4.874 4.340 0.005 0.000 0.283 396 R C -0.698 175.660 176.300 0.096 0.000 1.072 396 R CA -0.449 55.695 56.100 0.072 0.000 1.048 396 R CB 1.173 31.499 30.300 0.043 0.000 0.983 396 R HN 0.338 nan 8.270 nan 0.000 0.450 397 V N 2.997 122.965 119.914 0.090 0.000 2.841 397 V HA 0.147 4.270 4.120 0.005 0.000 0.310 397 V C 1.259 177.380 176.094 0.045 0.000 1.090 397 V CA -0.696 61.650 62.300 0.077 0.000 0.930 397 V CB 2.394 34.285 31.823 0.114 0.000 1.014 397 V HN 0.770 nan 8.190 nan 0.000 0.425 398 K N 2.306 122.722 120.400 0.026 0.000 2.025 398 K HA -0.043 4.280 4.320 0.005 0.000 0.207 398 K C 0.126 176.734 176.600 0.015 0.000 1.049 398 K CA 2.111 58.409 56.287 0.018 0.000 0.933 398 K CB 0.263 32.770 32.500 0.012 0.000 0.714 398 K HN 0.939 nan 8.250 nan 0.000 0.438 399 D N -3.679 116.726 120.400 0.007 0.000 2.738 399 D HA 0.157 4.800 4.640 0.005 0.000 0.308 399 D C 0.296 176.591 176.300 -0.007 0.000 1.311 399 D CA -0.007 53.995 54.000 0.004 0.000 0.799 399 D CB 0.427 41.226 40.800 -0.002 0.000 1.332 399 D HN -0.069 nan 8.370 nan 0.000 0.441 400 A N 0.312 123.126 122.820 -0.009 0.000 1.917 400 A HA -0.279 4.044 4.320 0.005 0.000 0.219 400 A C 1.669 179.225 177.584 -0.046 0.000 1.182 400 A CA 2.369 54.393 52.037 -0.022 0.000 0.633 400 A CB -1.421 17.560 19.000 -0.030 0.000 0.819 400 A HN 0.645 nan 8.150 nan 0.000 0.448 401 N N -0.886 117.788 118.700 -0.043 0.000 2.223 401 N HA -0.150 4.593 4.740 0.005 0.000 0.185 401 N C 1.808 177.286 175.510 -0.053 0.000 1.016 401 N CA 1.336 54.361 53.050 -0.042 0.000 0.863 401 N CB -0.131 38.341 38.487 -0.026 0.000 0.983 401 N HN 0.773 nan 8.380 nan 0.000 0.429 402 E N 0.462 120.625 120.200 -0.061 0.000 2.107 402 E HA -0.074 4.279 4.350 0.005 0.000 0.191 402 E C 1.906 178.379 176.600 -0.212 0.000 0.982 402 E CA 0.818 57.163 56.400 -0.091 0.000 0.809 402 E CB -0.004 29.662 29.700 -0.057 0.000 0.756 402 E HN 0.384 nan 8.360 nan 0.000 0.459 403 A N 1.116 123.794 122.820 -0.237 0.000 1.898 403 A HA -0.139 4.184 4.320 0.005 0.000 0.216 403 A C 2.142 179.501 177.584 -0.375 0.000 1.181 403 A CA 1.158 52.916 52.037 -0.466 0.000 0.620 403 A CB -0.617 18.284 19.000 -0.166 0.000 0.819 403 A HN 0.321 nan 8.150 nan 0.000 0.442 404 I N -0.709 119.765 120.570 -0.159 0.000 2.208 404 I HA -0.256 3.917 4.170 0.005 0.000 0.245 404 I C 2.870 178.948 176.117 -0.065 0.000 1.097 404 I CA 1.630 62.889 61.300 -0.069 0.000 1.363 404 I CB -0.211 37.778 38.000 -0.020 0.000 1.051 404 I HN 0.400 nan 8.210 nan 0.000 0.413 405 S N 0.706 116.357 115.700 -0.082 0.000 2.345 405 S HA -0.099 4.374 4.470 0.005 0.000 0.220 405 S C 2.056 176.638 174.600 -0.029 0.000 1.031 405 S CA 1.177 59.355 58.200 -0.035 0.000 0.996 405 S CB -0.295 62.892 63.200 -0.021 0.000 0.882 405 S HN 0.306 nan 8.310 nan 0.000 0.445 406 L N 1.011 122.143 121.223 -0.151 0.000 2.079 406 L HA -0.107 4.236 4.340 0.005 0.000 0.210 406 L C 2.728 179.609 176.870 0.018 0.000 1.081 406 L CA 1.230 56.008 54.840 -0.103 0.000 0.752 406 L CB -0.721 41.065 42.059 -0.455 0.000 0.896 406 L HN 0.320 nan 8.230 nan 0.000 0.433 407 S N 0.168 115.780 115.700 -0.147 0.000 2.351 407 S HA -0.179 4.294 4.470 0.005 0.000 0.220 407 S C 1.696 176.415 174.600 0.199 0.000 1.035 407 S CA 1.646 59.932 58.200 0.144 0.000 1.031 407 S CB -0.351 62.913 63.200 0.107 0.000 0.928 407 S HN 0.453 nan 8.310 nan 0.000 0.433 408 N N 1.346 120.118 118.700 0.120 0.000 2.364 408 N HA -0.059 4.684 4.740 0.005 0.000 0.183 408 N C 1.659 177.243 175.510 0.124 0.000 1.022 408 N CA 0.661 53.778 53.050 0.112 0.000 0.883 408 N CB -0.359 38.167 38.487 0.066 0.000 0.965 408 N HN 0.531 nan 8.380 nan 0.000 0.438 409 Q N -0.028 119.873 119.800 0.168 0.000 2.291 409 Q HA -0.003 4.340 4.340 0.005 0.000 0.206 409 Q C 0.539 176.599 176.000 0.101 0.000 0.976 409 Q CA 0.333 56.201 55.803 0.108 0.000 0.875 409 Q CB -0.010 28.796 28.738 0.113 0.000 0.927 409 Q HN 0.137 nan 8.270 nan 0.000 0.450 410 S N 0.544 116.441 115.700 0.329 0.000 2.562 410 S HA -0.057 4.416 4.470 0.005 0.000 0.281 410 S C 0.532 175.206 174.600 0.123 0.000 1.333 410 S CA -0.608 57.804 58.200 0.355 0.000 1.052 410 S CB 0.668 64.186 63.200 0.529 0.000 0.884 410 S HN 0.121 nan 8.310 nan 0.000 0.506 411 D N 2.088 122.479 120.400 -0.015 0.000 2.178 411 D HA -0.018 4.625 4.640 0.005 0.000 0.201 411 D C 0.105 176.304 176.300 -0.168 0.000 0.980 411 D CA 1.303 55.195 54.000 -0.181 0.000 0.842 411 D CB -0.157 40.413 40.800 -0.383 0.000 0.948 411 D HN 0.608 nan 8.370 nan 0.000 0.472 412 Y N -0.645 119.729 120.300 0.123 0.000 2.298 412 Y HA 0.464 5.017 4.550 0.005 0.000 0.329 412 Y C 1.550 177.508 175.900 0.096 0.000 1.293 412 Y CA -0.233 57.933 58.100 0.110 0.000 1.388 412 Y CB 1.305 39.846 38.460 0.134 0.000 1.309 412 Y HN -0.156 nan 8.280 nan 0.000 0.544 413 G N 1.286 110.233 108.800 0.245 0.000 5.072 413 G HA2 0.226 4.189 3.960 0.005 0.000 0.208 413 G HA3 0.226 4.189 3.960 0.005 0.000 0.208 413 G C -0.266 174.686 174.900 0.086 0.000 0.804 413 G CA -0.215 44.969 45.100 0.140 0.000 0.619 413 G HN 0.506 nan 8.290 nan 0.000 0.427 414 L N -0.074 121.208 121.223 0.098 0.000 2.046 414 L HA 0.546 4.889 4.340 0.005 0.000 0.203 414 L C 0.937 177.816 176.870 0.014 0.000 1.111 414 L CA 1.744 56.598 54.840 0.024 0.000 0.769 414 L CB -0.584 41.508 42.059 0.055 0.000 0.914 414 L HN 0.366 nan 8.230 nan 0.000 0.448 415 Q N -1.602 118.244 119.800 0.077 0.000 2.587 415 Q HA 0.737 5.080 4.340 0.005 0.000 0.293 415 Q C -1.507 174.567 176.000 0.124 0.000 1.083 415 Q CA -0.627 55.242 55.803 0.110 0.000 0.792 415 Q CB 2.213 31.075 28.738 0.206 0.000 1.484 415 Q HN 0.446 nan 8.270 nan 0.000 0.446 416 A N 0.323 123.224 122.820 0.135 0.000 2.593 416 A HA 0.830 5.154 4.320 0.005 0.000 0.290 416 A C -1.343 176.309 177.584 0.114 0.000 1.126 416 A CA -0.560 51.549 52.037 0.120 0.000 0.695 416 A CB 2.121 21.183 19.000 0.102 0.000 1.290 416 A HN 0.449 nan 8.150 nan 0.000 0.414 417 S N 0.310 116.045 115.700 0.058 0.000 2.526 417 S HA 0.695 5.168 4.470 0.005 0.000 0.293 417 S C -0.913 173.591 174.600 -0.160 0.000 1.092 417 S CA -0.455 57.687 58.200 -0.097 0.000 0.980 417 S CB 1.097 64.196 63.200 -0.167 0.000 1.048 417 S HN 0.499 nan 8.310 nan 0.000 0.483 418 I N 2.809 123.199 120.570 -0.301 0.000 2.389 418 I HA 0.431 4.604 4.170 0.005 0.000 0.288 418 I C -1.254 174.642 176.117 -0.368 0.000 0.999 418 I CA -0.653 60.532 61.300 -0.191 0.000 1.129 418 I CB 0.653 38.602 38.000 -0.084 0.000 1.288 418 I HN 0.501 nan 8.210 nan 0.000 0.444 419 F N 4.046 124.025 119.950 0.049 0.000 2.347 419 F HA 0.570 5.100 4.527 0.005 0.000 0.366 419 F C 0.630 176.449 175.800 0.031 0.000 1.107 419 F CA -0.460 57.564 58.000 0.039 0.000 1.058 419 F CB 1.765 40.786 39.000 0.035 0.000 1.236 419 F HN 0.444 nan 8.300 nan 0.000 0.456 420 T N 2.076 116.722 114.554 0.154 0.000 2.957 420 T HA 0.199 4.552 4.350 0.005 0.000 0.336 420 T C 0.579 175.323 174.700 0.073 0.000 1.462 420 T CA -0.852 61.308 62.100 0.101 0.000 1.073 420 T CB 1.270 70.175 68.868 0.062 0.000 1.319 420 T HN 0.480 nan 8.240 nan 0.000 0.485 421 K N 1.428 121.865 120.400 0.062 0.000 2.360 421 K HA -0.044 4.279 4.320 0.005 0.000 0.201 421 K C 0.388 177.007 176.600 0.032 0.000 1.046 421 K CA 0.656 56.971 56.287 0.046 0.000 0.940 421 K CB -0.056 32.466 32.500 0.038 0.000 0.748 421 K HN 0.546 nan 8.250 nan 0.000 0.465 422 D N 1.289 121.705 120.400 0.027 0.000 2.524 422 D HA 0.075 4.718 4.640 0.005 0.000 0.222 422 D C 0.390 176.695 176.300 0.008 0.000 1.142 422 D CA -0.013 53.996 54.000 0.015 0.000 0.973 422 D CB 0.678 41.485 40.800 0.012 0.000 1.025 422 D HN -0.051 nan 8.370 nan 0.000 0.519 423 T N 1.827 116.386 114.554 0.007 0.000 2.624 423 T HA -0.214 4.139 4.350 0.005 0.000 0.268 423 T C 1.097 175.793 174.700 -0.006 0.000 1.041 423 T CA 1.418 63.518 62.100 -0.000 0.000 1.159 423 T CB -0.057 68.812 68.868 0.002 0.000 0.863 423 T HN 0.367 nan 8.240 nan 0.000 0.434 424 D N 0.268 120.665 120.400 -0.004 0.000 2.133 424 D HA -0.087 4.556 4.640 0.005 0.000 0.195 424 D C 2.238 178.531 176.300 -0.013 0.000 0.997 424 D CA 0.986 54.982 54.000 -0.007 0.000 0.840 424 D CB -0.294 40.504 40.800 -0.004 0.000 0.947 424 D HN 0.286 nan 8.370 nan 0.000 0.452 425 R N 0.142 120.634 120.500 -0.013 0.000 2.075 425 R HA -0.044 4.299 4.340 0.005 0.000 0.232 425 R C 2.058 178.340 176.300 -0.031 0.000 1.126 425 R CA 1.278 57.364 56.100 -0.023 0.000 0.963 425 R CB -0.118 30.172 30.300 -0.016 0.000 0.858 425 R HN 0.140 nan 8.270 nan 0.000 0.435 426 A N 0.879 123.686 122.820 -0.021 0.000 1.930 426 A HA -0.111 4.212 4.320 0.005 0.000 0.217 426 A C 2.083 179.650 177.584 -0.029 0.000 1.175 426 A CA 1.081 53.102 52.037 -0.026 0.000 0.627 426 A CB -0.387 18.598 19.000 -0.026 0.000 0.815 426 A HN 0.310 nan 8.150 nan 0.000 0.443 427 I N -0.047 120.508 120.570 -0.024 0.000 2.142 427 I HA -0.297 3.876 4.170 0.005 0.000 0.240 427 I C 2.131 178.245 176.117 -0.006 0.000 1.078 427 I CA 1.839 63.127 61.300 -0.019 0.000 1.343 427 I CB -0.619 37.371 38.000 -0.017 0.000 1.046 427 I HN 0.444 nan 8.210 nan 0.000 0.405 428 N N 0.836 119.529 118.700 -0.012 0.000 2.244 428 N HA -0.113 4.630 4.740 0.005 0.000 0.183 428 N C 1.917 177.382 175.510 -0.074 0.000 1.016 428 N CA 0.893 53.939 53.050 -0.006 0.000 0.866 428 N CB -0.026 38.446 38.487 -0.027 0.000 0.980 428 N HN 0.296 nan 8.380 nan 0.000 0.430 429 I N 0.706 121.215 120.570 -0.102 0.000 2.202 429 I HA -0.152 4.021 4.170 0.005 0.000 0.242 429 I C 2.578 178.689 176.117 -0.010 0.000 1.091 429 I CA 1.018 62.244 61.300 -0.122 0.000 1.368 429 I CB -0.568 37.385 38.000 -0.077 0.000 1.058 429 I HN 0.212 nan 8.210 nan 0.000 0.410 430 G N 0.556 109.360 108.800 0.006 0.000 2.442 430 G HA2 -0.329 3.634 3.960 0.005 0.000 0.219 430 G HA3 -0.329 3.634 3.960 0.005 0.000 0.219 430 G C 1.649 176.585 174.900 0.061 0.000 1.141 430 G CA 0.893 46.006 45.100 0.021 0.000 0.763 430 G HN 0.183 nan 8.290 nan 0.000 0.554 431 K N 0.109 120.571 120.400 0.104 0.000 2.113 431 K HA -0.148 4.175 4.320 0.005 0.000 0.208 431 K C 1.922 178.622 176.600 0.167 0.000 1.047 431 K CA 1.216 57.587 56.287 0.140 0.000 0.928 431 K CB -0.270 32.342 32.500 0.187 0.000 0.716 431 K HN 0.459 nan 8.250 nan 0.000 0.446 432 H N -1.078 117.986 119.070 -0.010 0.000 2.539 432 H HA 0.247 4.806 4.556 0.005 0.000 0.269 432 H C -0.504 174.824 175.328 -0.000 0.000 0.980 432 H CA 0.017 56.061 56.048 -0.006 0.000 1.152 432 H CB -0.048 29.710 29.762 -0.007 0.000 1.407 432 H HN 0.011 nan 8.280 nan 0.000 0.564 433 L N 1.234 122.525 121.223 0.114 0.000 2.264 433 L HA 0.218 4.561 4.340 0.005 0.000 0.289 433 L C 0.145 177.046 176.870 0.050 0.000 1.044 433 L CA -0.411 54.475 54.840 0.077 0.000 0.807 433 L CB 1.457 43.557 42.059 0.069 0.000 1.192 433 L HN 0.101 nan 8.230 nan 0.000 0.425 434 E N 3.770 124.000 120.200 0.049 0.000 1.775 434 E HA 0.205 4.558 4.350 0.005 0.000 0.266 434 E C -0.457 176.167 176.600 0.041 0.000 1.191 434 E CA -0.167 56.253 56.400 0.033 0.000 1.048 434 E CB 0.257 29.976 29.700 0.031 0.000 1.081 434 E HN 0.410 nan 8.360 nan 0.000 0.434 435 V N -1.695 118.234 119.914 0.024 0.000 3.181 435 V HA 0.688 4.811 4.120 0.005 0.000 0.308 435 V C 1.013 177.094 176.094 -0.022 0.000 1.214 435 V CA -0.521 61.788 62.300 0.017 0.000 1.053 435 V CB 1.420 33.264 31.823 0.035 0.000 1.069 435 V HN 0.351 nan 8.190 nan 0.000 0.441 436 G N 0.277 109.048 108.800 -0.048 0.000 2.396 436 G HA2 0.303 4.266 3.960 0.005 0.000 0.214 436 G HA3 0.303 4.266 3.960 0.005 0.000 0.214 436 G C 0.518 175.363 174.900 -0.091 0.000 1.166 436 G CA 1.172 46.219 45.100 -0.088 0.000 0.793 436 G HN 0.930 nan 8.290 nan 0.000 0.533 437 T N -0.272 114.233 114.554 -0.082 0.000 2.971 437 T HA 0.498 4.851 4.350 0.005 0.000 0.304 437 T C -1.215 173.402 174.700 -0.139 0.000 1.038 437 T CA -0.410 61.607 62.100 -0.138 0.000 1.007 437 T CB 2.769 71.556 68.868 -0.134 0.000 1.055 437 T HN -0.064 nan 8.240 nan 0.000 0.451 438 V N 4.528 124.325 119.914 -0.195 0.000 2.417 438 V HA 0.395 4.518 4.120 0.005 0.000 0.291 438 V C -0.369 175.576 176.094 -0.248 0.000 1.024 438 V CA -0.826 61.394 62.300 -0.135 0.000 0.861 438 V CB 1.157 32.934 31.823 -0.076 0.000 0.985 438 V HN 0.838 nan 8.190 nan 0.000 0.436 439 H N 5.201 124.236 119.070 -0.058 0.000 2.488 439 H HA 0.460 5.019 4.556 0.005 0.000 0.322 439 H C -0.608 174.622 175.328 -0.164 0.000 1.078 439 H CA -0.572 55.429 56.048 -0.079 0.000 1.260 439 H CB 1.987 31.715 29.762 -0.056 0.000 1.425 439 H HN 0.368 nan 8.280 nan 0.000 0.471 440 I N 3.310 123.854 120.570 -0.044 0.000 2.315 440 I HA -0.020 4.153 4.170 0.005 0.000 0.291 440 I C 0.538 176.572 176.117 -0.138 0.000 1.006 440 I CA -0.412 60.819 61.300 -0.116 0.000 1.265 440 I CB 0.657 38.620 38.000 -0.063 0.000 1.387 440 I HN 0.658 nan 8.210 nan 0.000 0.475 441 N N 3.642 122.151 118.700 -0.319 0.000 2.725 441 N HA -0.193 4.550 4.740 0.005 0.000 0.249 441 N C -0.315 175.190 175.510 -0.010 0.000 1.103 441 N CA 1.163 54.109 53.050 -0.172 0.000 0.707 441 N CB -0.635 37.887 38.487 0.058 0.000 1.043 441 N HN 0.850 nan 8.380 nan 0.000 0.553 442 A N -0.623 122.079 122.820 -0.197 0.000 2.606 442 A HA 0.570 4.893 4.320 0.005 0.000 0.293 442 A C -0.118 177.453 177.584 -0.021 0.000 1.082 442 A CA -0.807 51.255 52.037 0.042 0.000 0.685 442 A CB 1.281 20.315 19.000 0.056 0.000 1.284 442 A HN 0.227 nan 8.150 nan 0.000 0.408 443 K N 0.285 120.727 120.400 0.070 0.000 2.276 443 K HA 0.420 4.743 4.320 0.005 0.000 0.259 443 K C 0.212 176.637 176.600 -0.291 0.000 1.001 443 K CA 0.438 56.729 56.287 0.006 0.000 0.927 443 K CB 0.026 32.542 32.500 0.026 0.000 0.969 443 K HN 0.765 nan 8.250 nan 0.000 0.490 444 T N -0.478 113.950 114.554 -0.210 0.000 2.899 444 T HA 0.253 4.606 4.350 0.005 0.000 0.295 444 T C -0.381 174.177 174.700 -0.236 0.000 1.033 444 T CA -0.687 61.230 62.100 -0.306 0.000 1.084 444 T CB 0.456 69.332 68.868 0.013 0.000 0.979 444 T HN 0.825 nan 8.240 nan 0.000 0.532 445 E N 0.370 120.473 120.200 -0.162 0.000 2.401 445 E HA 0.258 4.611 4.350 0.005 0.000 0.283 445 E C 0.407 177.065 176.600 0.097 0.000 1.053 445 E CA -1.150 55.226 56.400 -0.040 0.000 0.842 445 E CB 1.069 30.704 29.700 -0.107 0.000 1.222 445 E HN 0.501 nan 8.360 nan 0.000 0.429 446 R N 1.875 122.346 120.500 -0.049 0.000 2.073 446 R HA -0.008 4.335 4.340 0.005 0.000 0.234 446 R C 0.889 177.094 176.300 -0.158 0.000 1.134 446 R CA 1.926 57.867 56.100 -0.266 0.000 0.952 446 R CB -0.437 29.385 30.300 -0.797 0.000 0.850 446 R HN 0.563 nan 8.270 nan 0.000 0.433 447 G N 0.514 109.195 108.800 -0.198 0.000 2.510 447 G HA2 0.354 4.317 3.960 0.005 0.000 0.280 447 G HA3 0.354 4.317 3.960 0.005 0.000 0.280 447 G C -2.435 172.293 174.900 -0.286 0.000 1.386 447 G CA -1.120 43.848 45.100 -0.220 0.000 1.047 447 G HN 0.145 nan 8.290 nan 0.000 0.527 448 P HA 0.099 nan 4.420 nan 0.000 0.267 448 P C 0.119 177.235 177.300 -0.307 0.000 1.200 448 P CA -0.078 62.764 63.100 -0.429 0.000 0.772 448 P CB 0.643 32.077 31.700 -0.445 0.000 0.855 449 D N 0.788 121.096 120.400 -0.155 0.000 2.378 449 D HA -0.135 4.508 4.640 0.005 0.000 0.222 449 D C 1.454 177.711 176.300 -0.071 0.000 0.980 449 D CA 0.918 54.834 54.000 -0.141 0.000 0.907 449 D CB -0.060 40.633 40.800 -0.178 0.000 0.899 449 D HN 0.622 nan 8.370 nan 0.000 0.527 450 H N -0.305 118.616 119.070 -0.248 0.000 2.482 450 H HA -0.026 4.533 4.556 0.005 0.000 0.286 450 H C 0.649 176.072 175.328 0.158 0.000 1.017 450 H CA -0.161 55.816 56.048 -0.119 0.000 1.322 450 H CB -0.810 28.870 29.762 -0.137 0.000 1.426 450 H HN -0.102 nan 8.280 nan 0.000 0.546 451 F N 3.336 123.059 119.950 -0.379 0.000 2.607 451 F HA 0.196 4.725 4.527 0.005 0.000 0.374 451 F C -1.681 174.083 175.800 -0.058 0.000 1.104 451 F CA -2.873 54.983 58.000 -0.240 0.000 1.296 451 F CB -0.223 38.674 39.000 -0.173 0.000 1.085 451 F HN 0.056 nan 8.300 nan 0.000 0.584 452 P HA 0.015 nan 4.420 nan 0.000 0.267 452 P C -0.920 176.503 177.300 0.206 0.000 1.200 452 P CA 0.264 63.433 63.100 0.116 0.000 0.772 452 P CB 0.292 32.008 31.700 0.027 0.000 0.855 453 F N 4.848 124.817 119.950 0.033 0.000 2.547 453 F HA 0.689 5.219 4.527 0.005 0.000 0.316 453 F C -1.283 174.535 175.800 0.029 0.000 1.121 453 F CA -0.812 57.209 58.000 0.035 0.000 0.911 453 F CB 1.124 40.140 39.000 0.027 0.000 1.179 453 F HN 0.210 nan 8.300 nan 0.000 0.443 454 L N 3.550 124.377 121.223 -0.661 0.000 2.612 454 L HA 0.944 5.287 4.340 0.005 0.000 0.256 454 L C -1.280 175.305 176.870 -0.474 0.000 0.949 454 L CA -0.898 53.666 54.840 -0.461 0.000 0.867 454 L CB 1.785 43.738 42.059 -0.176 0.000 1.417 454 L HN 0.800 nan 8.230 nan 0.000 0.414 455 G N 1.285 109.912 108.800 -0.288 0.000 2.388 455 G HA2 0.661 4.624 3.960 0.005 0.000 0.330 455 G HA3 0.661 4.624 3.960 0.005 0.000 0.330 455 G C -0.282 174.588 174.900 -0.050 0.000 1.142 455 G CA -0.337 44.684 45.100 -0.132 0.000 0.908 455 G HN 1.015 nan 8.290 nan 0.000 0.473 456 V N -0.260 119.645 119.914 -0.015 0.000 3.406 456 V HA 0.722 4.845 4.120 0.005 0.000 0.305 456 V C 0.998 177.108 176.094 0.026 0.000 1.136 456 V CA -0.656 61.645 62.300 0.001 0.000 1.011 456 V CB 0.915 32.734 31.823 -0.005 0.000 1.221 456 V HN 1.035 nan 8.190 nan 0.000 0.454 457 K N -0.837 119.572 120.400 0.016 0.000 2.004 457 K HA -0.251 4.072 4.320 0.005 0.000 0.116 457 K C 1.207 177.816 176.600 0.014 0.000 1.340 457 K CA 1.887 58.179 56.287 0.009 0.000 0.509 457 K CB -1.313 31.192 32.500 0.009 0.000 0.538 457 K HN 0.747 nan 8.250 nan 0.000 0.955 458 K N 1.113 121.510 120.400 -0.005 0.000 2.486 458 K HA 0.062 4.385 4.320 0.005 0.000 0.194 458 K C 1.845 178.515 176.600 0.115 0.000 1.033 458 K CA 0.724 57.006 56.287 -0.009 0.000 1.004 458 K CB 0.113 32.509 32.500 -0.174 0.000 0.798 458 K HN 0.292 nan 8.250 nan 0.000 0.495 459 S N 0.163 115.961 115.700 0.163 0.000 2.527 459 S HA 0.086 4.559 4.470 0.005 0.000 0.222 459 S C 0.832 175.504 174.600 0.119 0.000 0.985 459 S CA 0.528 58.855 58.200 0.210 0.000 0.921 459 S CB 0.374 63.686 63.200 0.186 0.000 0.772 459 S HN 0.558 nan 8.310 nan 0.000 0.529 460 G N 0.120 108.969 108.800 0.082 0.000 2.322 460 G HA2 0.470 4.434 3.960 0.005 0.000 0.295 460 G HA3 0.470 4.434 3.960 0.005 0.000 0.295 460 G C -2.487 172.440 174.900 0.046 0.000 1.369 460 G CA -0.764 44.375 45.100 0.065 0.000 0.821 460 G HN 0.228 nan 8.290 nan 0.000 0.536 461 L N -0.204 121.049 121.223 0.050 0.000 2.549 461 L HA 0.742 5.085 4.340 0.005 0.000 0.259 461 L C 0.503 177.398 176.870 0.042 0.000 0.934 461 L CA 1.664 56.528 54.840 0.039 0.000 0.865 461 L CB 1.732 43.818 42.059 0.044 0.000 1.352 461 L HN 2.786 nan 8.230 nan 0.000 0.410 462 G N 2.305 111.122 108.800 0.027 0.000 2.693 462 G HA2 0.080 4.043 3.960 0.005 0.000 0.226 462 G HA3 0.080 4.043 3.960 0.005 0.000 0.226 462 G C -1.348 173.566 174.900 0.024 0.000 1.354 462 G CA -0.413 44.705 45.100 0.030 0.000 0.873 462 G HN 1.273 nan 8.290 nan 0.000 0.562 463 V N 0.277 120.213 119.914 0.037 0.000 2.971 463 V HA 0.712 4.835 4.120 0.005 0.000 0.309 463 V C 0.219 176.362 176.094 0.081 0.000 1.130 463 V CA -0.563 61.760 62.300 0.038 0.000 0.964 463 V CB 1.830 33.668 31.823 0.024 0.000 1.029 463 V HN 1.043 nan 8.190 nan 0.000 0.427 464 Q N 0.780 120.657 119.800 0.129 0.000 3.226 464 Q HA 0.837 5.180 4.340 0.005 0.000 0.276 464 Q C 0.060 176.160 176.000 0.166 0.000 1.029 464 Q CA -0.293 55.610 55.803 0.167 0.000 0.854 464 Q CB 2.163 31.050 28.738 0.248 0.000 1.567 464 Q HN 1.347 nan 8.270 nan 0.000 0.481 465 G N -0.080 108.800 108.800 0.133 0.000 2.663 465 G HA2 -0.155 3.808 3.960 0.005 0.000 0.686 465 G HA3 -0.155 3.808 3.960 0.005 0.000 0.686 465 G C 0.199 175.132 174.900 0.056 0.000 1.246 465 G CA -0.513 44.639 45.100 0.086 0.000 0.795 465 G HN 0.381 nan 8.290 nan 0.000 0.627 466 I N 0.736 121.321 120.570 0.025 0.000 2.068 466 I HA -0.192 3.981 4.170 0.005 0.000 0.238 466 I C 2.727 178.888 176.117 0.073 0.000 1.046 466 I CA 2.663 63.983 61.300 0.033 0.000 1.306 466 I CB -1.058 36.938 38.000 -0.006 0.000 1.023 466 I HN 0.808 nan 8.210 nan 0.000 0.399 467 K N 0.701 121.155 120.400 0.089 0.000 2.057 467 K HA -0.105 4.218 4.320 0.005 0.000 0.206 467 K C -0.573 176.069 176.600 0.070 0.000 1.050 467 K CA 1.206 57.546 56.287 0.088 0.000 0.935 467 K CB -0.735 31.825 32.500 0.098 0.000 0.715 467 K HN 0.196 nan 8.250 nan 0.000 0.439 468 P HA 0.003 nan 4.420 nan 0.000 0.223 468 P C 0.723 178.060 177.300 0.062 0.000 1.151 468 P CA 0.996 64.132 63.100 0.060 0.000 0.787 468 P CB 0.226 31.963 31.700 0.061 0.000 0.788 469 S N -0.234 115.506 115.700 0.067 0.000 2.356 469 S HA -0.112 4.361 4.470 0.005 0.000 0.223 469 S C 1.819 176.456 174.600 0.061 0.000 1.032 469 S CA 1.114 59.353 58.200 0.065 0.000 1.005 469 S CB -1.183 62.054 63.200 0.060 0.000 0.867 469 S HN 0.142 nan 8.310 nan 0.000 0.449 470 L N 0.557 121.817 121.223 0.060 0.000 2.042 470 L HA -0.151 4.192 4.340 0.005 0.000 0.210 470 L C 2.209 179.107 176.870 0.048 0.000 1.076 470 L CA 0.898 55.772 54.840 0.056 0.000 0.749 470 L CB -0.592 41.502 42.059 0.057 0.000 0.893 470 L HN 0.259 nan 8.230 nan 0.000 0.432 471 L N -0.304 120.946 121.223 0.046 0.000 2.093 471 L HA -0.178 4.165 4.340 0.005 0.000 0.208 471 L C 2.855 179.749 176.870 0.039 0.000 1.085 471 L CA 1.966 56.830 54.840 0.039 0.000 0.755 471 L CB -0.811 41.270 42.059 0.036 0.000 0.904 471 L HN 0.349 nan 8.230 nan 0.000 0.435 472 S N -1.528 114.199 115.700 0.045 0.000 2.453 472 S HA -0.115 4.358 4.470 0.005 0.000 0.231 472 S C 1.645 176.273 174.600 0.047 0.000 1.005 472 S CA 0.793 59.021 58.200 0.046 0.000 0.949 472 S CB -0.404 62.829 63.200 0.054 0.000 0.774 472 S HN 0.415 nan 8.310 nan 0.000 0.510 473 M N 2.311 121.941 119.600 0.050 0.000 2.475 473 M HA 0.235 4.718 4.480 0.005 0.000 0.261 473 M C 0.062 176.389 176.300 0.046 0.000 1.177 473 M CA -0.100 55.231 55.300 0.052 0.000 0.979 473 M CB 0.468 33.105 32.600 0.061 0.000 1.482 473 M HN 0.509 nan 8.290 nan 0.000 0.484 474 T N -1.216 113.360 114.554 0.038 0.000 2.804 474 T HA 0.888 5.241 4.350 0.005 0.000 0.290 474 T C -0.687 174.028 174.700 0.024 0.000 1.099 474 T CA -1.063 61.055 62.100 0.030 0.000 1.011 474 T CB 1.980 70.863 68.868 0.025 0.000 1.291 474 T HN 0.335 nan 8.240 nan 0.000 0.523 475 R N -0.804 119.707 120.500 0.018 0.000 2.710 475 R HA 0.704 5.047 4.340 0.005 0.000 0.270 475 R C -1.749 174.556 176.300 0.008 0.000 1.021 475 R CA -0.883 55.224 56.100 0.013 0.000 0.889 475 R CB 0.059 30.367 30.300 0.012 0.000 1.243 475 R HN 0.530 nan 8.270 nan 0.000 0.464 476 E N 1.177 121.380 120.200 0.005 0.000 2.415 476 E HA 0.115 4.469 4.350 0.005 0.000 0.263 476 E C -0.591 176.009 176.600 -0.001 0.000 0.995 476 E CA 0.176 56.576 56.400 0.001 0.000 0.915 476 E CB 0.602 30.301 29.700 -0.002 0.000 0.951 476 E HN 0.408 nan 8.360 nan 0.000 0.449 477 R N 2.725 123.224 120.500 -0.002 0.000 2.387 477 R HA 0.445 4.788 4.340 0.005 0.000 0.314 477 R C -1.466 174.830 176.300 -0.006 0.000 0.958 477 R CA -0.613 55.485 56.100 -0.004 0.000 0.846 477 R CB 0.869 31.166 30.300 -0.004 0.000 1.147 477 R HN 0.329 nan 8.270 nan 0.000 0.447 478 V N 3.704 123.614 119.914 -0.007 0.000 2.417 478 V HA 0.391 4.514 4.120 0.005 0.000 0.291 478 V C -0.352 175.738 176.094 -0.008 0.000 1.024 478 V CA -0.628 61.667 62.300 -0.008 0.000 0.861 478 V CB 1.951 33.767 31.823 -0.012 0.000 0.985 478 V HN 0.822 nan 8.190 nan 0.000 0.436 479 T N 4.212 118.762 114.554 -0.007 0.000 2.791 479 T HA 0.477 4.830 4.350 0.005 0.000 0.288 479 T C -0.339 174.357 174.700 -0.005 0.000 0.999 479 T CA -0.366 61.731 62.100 -0.006 0.000 0.952 479 T CB 1.409 70.273 68.868 -0.005 0.000 0.938 479 T HN 0.332 nan 8.240 nan 0.000 0.444 480 V N 5.440 125.351 119.914 -0.006 0.000 2.364 480 V HA 0.387 4.510 4.120 0.005 0.000 0.272 480 V C 0.065 176.158 176.094 -0.003 0.000 1.036 480 V CA -0.725 61.572 62.300 -0.005 0.000 0.880 480 V CB 0.930 32.749 31.823 -0.007 0.000 0.991 480 V HN 0.748 nan 8.190 nan 0.000 0.460 481 L N 4.361 125.584 121.223 -0.001 0.000 2.307 481 L HA 0.509 4.852 4.340 0.005 0.000 0.282 481 L C 0.039 176.910 176.870 0.001 0.000 1.051 481 L CA -0.412 54.428 54.840 -0.000 0.000 0.804 481 L CB 1.705 43.764 42.059 0.000 0.000 1.197 481 L HN 0.682 nan 8.230 nan 0.000 0.431 482 N N 3.343 122.044 118.700 0.001 0.000 2.424 482 N HA 0.338 5.081 4.740 0.005 0.000 0.271 482 N C -0.130 175.381 175.510 0.003 0.000 0.985 482 N CA -0.412 52.640 53.050 0.002 0.000 0.921 482 N CB 1.137 39.625 38.487 0.002 0.000 1.149 482 N HN 0.561 nan 8.380 nan 0.000 0.492 483 L N 1.529 122.754 121.223 0.004 0.000 2.693 483 L HA 0.476 4.819 4.340 0.005 0.000 0.235 483 L C 1.100 177.972 176.870 0.004 0.000 1.127 483 L CA -0.357 54.485 54.840 0.003 0.000 0.914 483 L CB -0.153 41.908 42.059 0.004 0.000 1.193 483 L HN 0.534 nan 8.230 nan 0.000 0.502 484 A N 0.000 122.822 122.820 0.004 0.000 2.254 484 A HA 0.000 4.323 4.320 0.005 0.000 0.244 484 A CA 0.000 52.039 52.037 0.004 0.000 0.836 484 A CB 0.000 19.003 19.000 0.005 0.000 0.831 484 A HN 0.000 nan 8.150 nan 0.000 0.486